Publications by College

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The following is a list of publications to which the use of HPC resources have contributed, arranged by college at the University of Maryland.

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College of Agriculture and Natural Resources

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• Cunling Jia and Ying Bai and Jianan Liu and Wentao Cai and Lei Liu and Yanghua He and Jiuzhou Song. (2021). Metabolic Regulations by lncRNA, miRNA, and ceRNA Under Grass-Fed and Grain-Fed Regimens in Angus Beef Cattle. Frontiers in Genetics. doi:10.3389/fgene.2021.579393
• Hultman, Nate, Kevin Kennedy, Leon Clarke, Haewon McJeon, Tom Cyrs, John O'Neill, Alicia Zhao, Jenna Behrendt, Wendy Jaglom, Todd McGarvey, John Feldmann, Ryna Cui, Kowan O'Keefe. (2021). An All-In climate strategy can cut U.S. emissions by 50% by 2030.. Working paper. America is All In. April 2021. doi:
• Hultman, Nate, Kevin Kennedy, Leon Clarke, Haewon McJeon, Tom Cyrs, John O’Neill, Alicia Zhao, Jenna Behrendt, Wendy Jaglom, Todd McGarvey, John Feldmann, Ryna Cui, and Kowan O’Keefe. (2021). An All-In climate strategy can cut U.S. emissions by 50% by 2030. Center for Global Sustainability Working Paper. College Park, MD: University of Maryland Center for Global Sustainability. doi:
• Ke Zhang and Chong He and Yangbin Xu and Chenguang Zhang and Chao Li and Xu Jing and Meili Wang and Yuxin Yang and Langda Suo and Peter Kalds and Jiuzhou Song and Xiaolong Wang and Daniel Brugger and Yujiang Wu and Yulin Chen. (2021). Taxonomic and functional adaption of the gastrointestinal microbiome of goats kept at high altitude (4800~m) under intensive or extensive rearing conditions. FEMS Microbiology Ecology. doi:10.1093/femsec/fiab009
• Kennedy K., W. Jaglom, N. Hultman, E. Bridgwater, R. Mendell, H. Leslie-Bole, L. Rowland, E. McGlynn, T. Massey-Green, T. Cyrs, L. Clarke, H. McJeon, A. Zhao, J. O'Neill, R. Gasper, J. Feldmann, K. O'Keefe, R. Cui, S. Kennedy, J. Zhao, and H. Kazanecki. (2021). Stronger Together: An All-In Climate Strategy for Faster, More Durable Emissions Reductions. America Is All In. (2021). doi:
• Wentao Cai and Cong Li and Junya Li and Jiuzhou Song and Shengli Zhang. (2021). Integrated Small RNA Sequencing, Transcriptome and GWAS Data Reveal microRNA Regulation in Response to Milk Protein Traits in Chinese Holstein Cattle. Frontiers in Genetics. doi:10.3389/fgene.2021.726706
• Chen Zhang and Qisheng Zuo and Man Wang and Hao Chen and Nana He and Jing Jin and Tingting Li and Jingyi Jiang and Xia Yuan and Jiancheng Li and Xiang Shi and Ming Zhang and Hao Bai and Yang Zhang and Qi Xu and Hengmi Cui and Guobin Chang and Jiuzhou Song and Hongyan Sun and Yani Zhang and Guohong Chen and Bichun Li. (2020). Narrow H3K4me2 is required for chicken PGC formation. Journal of Cellular Physiology. doi:10.1002/jcp.29945
• Chunping Zhao and Guanyu Ji and Jos'e A. Carrillo and Yaokun Li and Fei Tian and Ransom L. Baldwin and Linsen Zan and Jiuzhou Song. (2020). The Profiling of DNA Methylation and Its Regulation on Divergent Tenderness in Angus Beef Cattle. Frontiers in Genetics. doi:10.3389/fgene.2020.00939
• Daniel Jordan de Abreu Santos and John B. Cole and George E. Liu and Paul M. VanRaden and Li Ma. (2020). Gamevar.f90: a software package for calculating individual gametic diversity. BMC Bioinformatics. doi:10.1186/s12859-020-3417-x
• Hao Bai and Yanghua He and Yanli Lin and Qixin Leng and Jos'e A. Carrillo and Jianan Liu and Feng Jiang and Jilan Chen and Jiuzhou Song. (2020). Identification of a novel differentially methylated region adjacent to ATG16L2 in lung cancer cells using methyl-CpG binding domain protein-enriched genome sequencing. Genome. doi:10.1139/gen-2020-0071
• Hao Bai and Yanghua He and Yi Ding and Qin Chu and Ling Lian and Eliyahu M. Heifetz and Ning Yang and Hans H. Cheng and Huanmin Zhang and Jilan Chen and Jiuzhou Song. (2020). Genome-wide characterization of copy number variations in the host genome in genetic resistance to Marek's disease using next generation sequencing. BMC Genetics. doi:10.1186/s12863-020-00884-w
• Jianan Liu and Fang Liu and Wentao Cai and Cunling Jia and Ying Bai and Yanghua He and Weiyun Zhu and Robert W. Li and Jiuzhou Song. (2020). Diet-induced changes in bacterial communities in the jejunum and their associations with bile acids in Angus beef cattle. Animal Microbiome. doi:10.1186/s42523-020-00051-7
• Kai Jin and Dong Li and Jing Jin and Jiuzhou Song and Yani Zhang and Guobing Chang and Guohong Chen and Bichun Li. (2020). C1EIP Functions as an Activator of ENO1 to Promote Chicken PGCs Formation via Inhibition of the Notch Signaling Pathway. Frontiers in Genetics. doi:10.3389/fgene.2020.00751
• Lingzhao Fang and Wentao Cai and Shuli Liu and Oriol Canela-Xandri and Yahui Gao and Jicai Jiang and Konrad Rawlik and Bingjie Li and Steven G. Schroeder and Benjamin D. Rosen and Cong-jun Li and Tad S. Sonstegard and Leeson J. Alexander and Curtis P. Van Tassell and Paul M. VanRaden and John B. Cole and Ying Yu and Shengli Zhang and Albert Tenesa and Li Ma and George E. Liu. (2020). Comprehensive analyses of 723 transcriptomes enhance genetic and biological interpretations for complex traits in cattle. Genome Research. doi:10.1101/gr.250704.119
• Shuli Liu and Ying Yu and Shengli Zhang and John B. Cole and Albert Tenesa and Ting Wang and Tara G. McDaneld and Li Ma and George E. Liu and Lingzhao Fang. (2020). Epigenomics and genotype-phenotype association analyses reveal conserved genetic architecture of complex traits in cattle and human. BMC Biology. doi:10.1186/s12915-020-00792-6
• Wentao Cai and Lijun Shi and Mingyue Cao and Dan Shen and Junya Li and Shengli Zhang and Jiuzhou Song. (2020). Pan-RNA editing analysis of the bovine genome. RNA Biology. doi:10.1080/15476286.2020.1807724
• Ying Bai and Jos'e A. Carrillo and Yaokun Li and Yanghua He and Jiuzhou Song. (2020). Correction to: Diet induced the change of mtDNA copy number and metabolism in Angus cattle. Journal of Animal Science and Biotechnology. doi:10.1186/s40104-020-00504-8
• Ying Bai and Jos'e A. Carrillo and Yaokun Li and Yanghua He and Jiuzhou Song. (2020). Diet induced the change of mtDNA copy number and metabolism in Angus cattle. Journal of Animal Science and Biotechnology. doi:10.1186/s40104-020-00482-x
• Ying Bai and Ping Yuan and Huanmin Zhang and Ramesh Ramachandran and Ning Yang and Jiuzhou Song. (2020). Adiponectin and its receptor genes' expression in response to Marek's disease virus infection of White Leghorns. Poultry Science. doi:10.1016/j.psj.2020.06.004
• D.J.A. Santos and J.B. Cole and T.J. Lawlor and P.M. VanRaden and H. Tonhati and L. Ma. (2019). Variance of gametic diversity and its application in selection programs. Journal of Dairy Science. doi:10.3168/jds.2018-15971
• H Bai and Y He and Y Ding and S Chang and H Zhang and J Chen and J Song. (2019). Parent-of-origin has no detectable effect on survival days of Marek's disease virus infected White Leghorns. Poultry Science. doi:10.3382/ps/pez209
• Hao Bai and Yanghua He and Yi Ding and Jos'e A. Carrillo and Ramesh K. Selvaraj and Huanmin Zhang and Jilan Chen and Jiuzhou Song. (2019). Allele-Specific Expression of CD4+ T Cells in Response to Marek's Disease Virus Infection. Genes. doi:10.3390/genes10090718
• L. Fang, J. Jiang, G.E. Liu, L. Ma. (2019). Multi-Tissue Transcriptome Enhances GWAS Interpretation and Genomic Prediction in Cattle. Abstract and Oral presentation, International Plant & Animal Genome XXVI Conference, San Diego, CA, USA, January 12-16, 2019. doi:
• Lingzhao Fang and Yang Zhou and Shuli Liu and Jicai Jiang and Derek M. Bickhart and Daniel J. Null and Bingjie Li and Steven G. Schroeder and Benjamin D. Rosen and John B. Cole and Curtis P. Van Tassell and Li Ma and George E. Liu. (2019). Comparative analyses of sperm DNA methylomes among human, mouse and cattle provide insights into epigenomic evolution and complex traits. Epigenetics. doi:10.1080/15592294.2019.1582217
• Qin Chu and Yi Ding and Wentao Cai and Lei Liu and Huanmin Zhang and Jiuzhou Song. (2019). Marek's Disease Virus Infection Induced Mitochondria Changes in Chickens. International Journal of Molecular Sciences. doi:10.3390/ijms20133150
• Shuli Liu and Lingzhao Fang and Yang Zhou and Daniel J.A. Santos and Ruidong Xiang and Hans D. Daetwyler and Amanda J. Chamberlain and John B. Cole and Cong-jun Li and Ying Yu and Li Ma and Shengli Zhang and George E. Liu. (2019). Analyses of inter-individual variations of sperm DNA methylation and their potential implications in cattle. BMC Genomics. doi:10.1186/s12864-019-6228-6
• Yanghua He and Bo Han and Yi Ding and Huanmin Zhang and Shuang Chang and Li Zhang and Chunfang Zhao and Ning Yang and Jiuzhou Song. (2019). Linc-GALMD1 Regulates Viral Gene Expression in the Chicken. Frontiers in Genetics. doi:10.3389/fgene.2019.01122
• L. Curry Woods III and Yaokun Li and Yi Ding and Jianan Liu and Benjamin J. Reading and S. Adam Fuller and Jiuzhou Song. (2018). DNA methylation profiles correlated to striped bass sperm fertility. BMC Genomics. doi:10.1186/s12864-018-4548-6
• Lingyang Xu and Yanghua He and Yi Ding and George E. Liu and Huanmin Zhang and Hans H. Cheng and Robert L. Taylor and Jiuzhou Song. (2018). Genetic assessment of inbred chicken lines indicates genomic signatures of resistance to Marek's disease. Journal of Animal Science and Biotechnology. doi:10.1186/s40104-018-0281-x
• Qisheng Zuo and Kai Jin and Jiuzhou Song and Yani Zhang and Guohong Chen and Bichun Li. (2018). Interaction of the primordial germ cell-specific protein C2EIP with PTCH2 directs differentiation of embryonic stem cells via HH signaling activation. Cell Death &amp$mathsemicolon$ Disease. doi:10.1038/s41419-018-0557-2
• Yanghua He and Qisheng Zuo and John Edwards and Keji Zhao and Jinzhi Lei and Wentao Cai and Qing Nie and Bichun Li and Jiuzhou Song. (2018). DNA Methylation and Regulatory Elements during Chicken Germline Stem Cell Differentiation. Stem Cell Reports. doi:10.1016/j.stemcr.2018.03.018
• Bo Han and Yanghua He and Li Zhang and Yi Ding and Ling Lian and Chunfang Zhao and Jiuzhou Song and Ning Yang. (2017). Long intergenic non-coding RNA GALMD3 in chicken Marek's disease. Scientific Reports. doi:10.1038/s41598-017-10900-2
• Chen Zhang and Man Wang and Nana He and Mahmoud F. Ahmed and Yilin Wang and Ruifeng Zhao and Xinjian Yu and Jing Jin and Jiuzhou Song and Qisheng Zuo and Yani Zhang and Bichun Li. (2017). Hsd3b2 associated in modulating steroid hormone synthesis pathway regulates the differentiation of chicken embryonic stem cells into spermatogonial stem cells. Journal of Cellular Biochemistry. doi:10.1002/jcb.26279
• Chugang Mei and Hongcheng Wang and Qijun Liao and Lizhong Wang and Gong Cheng and Hongbao Wang and Chunping Zhao and Shancen Zhao and Jiuzhou Song and Xuanmin Guang and George E Liu and Anning Li and Xueli Wu and Chongzhi Wang and Xiaodong Fang and Xin Zhao and Stephen B Smith and Wucai Yang and Wanqiang Tian and Linsheng Gui and Yingying Zhang and Rodney A Hill and Zhongliang Jiang and Yaping Xin and Cunling Jia and Xiuzhu Sun and Shuhui Wang and Huanming Yang and Jian Wang and Wenjuan Zhu and Linsen Zan. (2017). Genetic Architecture and Selection of Chinese Cattle Revealed by Whole Genome Resequencing. Molecular Biology and Evolution. doi:10.1093/molbev/msx322
• Dianliang Deng, Hong-Bin Fang, Kian Razeghi Jahromi,Jiuzhou Song, and Ming Tan. (2017). Detection of Threshold Points for Gene Expressions under Multiple Biological Conditions. Statistics and Its Interface Volume 10 (2017) 643–655. doi:
• James Cooper and Yi Ding and Jiuzhou Song and Keji Zhao. (2017). Genome-wide mapping of DNase I hypersensitive sites in rare cell populations using single-cell DNase sequencing. Nature Protocols. doi:10.1038/nprot.2017.099
• Lingyang Xu and Yanghua He and Yi Ding and Guirong Sun and Jose Carrillo and Yaokun Li and Mona Ghaly and Li Ma and Huanmin Zhang and George Liu and Jiuzhou Song. (2017). Characterization of Copy Number Variation's Potential Role in Marek's Disease. International Journal of Molecular Sciences. doi:10.3390/ijms18051020
• Lingyang Xu and Yanghua He and Yi Ding and Guirong Sun and Jose Carrillo and Yaokun Li and Mona Ghaly and Li Ma and Huanmin Zhang and George Liu and Jiuzhou Song. (2017). Characterization of Copy Number Variation's Potential Role in Marek's Disease. International Journal of Molecular Sciences. doi:10.3390/ijms18051020
• Qisheng Zuo and Kai Jin and Jiuzhou Song and Yani Zhang and Bichun Li. (2017). Cloning, expression pattern analysis, and subcellular localization of Capra hircus SCD1 gene with production of transgenic mice. Journal of Cellular Biochemistry. doi:10.1002/jcb.26386
• Bo Han and Ling Lian and Xin Li and Chunfang Zhao and Lujiang Qu and Changjun Liu and Jiuzhou Song and Ning Yang. (2016). Chicken gga-miR-103-3p Targets CCNE1 and TFDP2 and Inhibits MDCC-MSB1 Cell Migration. G3 Genes$vert$Genomes$vert$Genetics. doi:10.1534/g3.116.028498
• Bo Han and Ling Lian and Xin Li and Chunfang Zhao and Lujiang Qu and Changjun Liu and Jiuzhou Song and Ning Yang. (2016). Chicken gga-miR-130a targets HOXA3 and MDFIC and inhibits Marek's disease lymphoma cell proliferation and migration. Molecular Biology Reports. doi:10.1007/s11033-016-4002-2
• Derek M. Bickhart and Lingyang Xu and Jana L. Hutchison and John B. Cole and Daniel J. Null and Steven G. Schroeder and Jiuzhou Song and Jose Fernando Garcia and Tad S. Sonstegard and Curtis P. Van Tassell and Robert D. Schnabel and Jeremy F. Taylor and Harris A. Lewin and George E. Liu. (2016). Diversity and population-genetic properties of copy number variations and multicopy genes in cattle. DNA Research. doi:10.1093/dnares/dsw013
• Jos'e A. Carrillo and Yanghua He and Yaokun Li and Jianan Liu and Richard A. Erdman and Tad S. Sonstegard and Jiuzhou Song. (2016). Integrated metabolomic and transcriptome analyses reveal finishing forage affects metabolic pathways related to beef quality and animal welfare. Scientific Reports. doi:10.1038/srep25948
• Junli Du and Manlin Li and Zhifa Yuan and Mancai Guo and Jiuzhou Song and Xiaozhen Xie and Yulin Chen. (2016). A decision analysis model for KEGG pathway analysis. BMC Bioinformatics. doi:10.1186/s12859-016-1285-1
• Lingyang Xu and Ryan J. Haasl and Jiajie Sun and Yang Zhou and Derek M. Bickhart and Junya Li and Jiuzhou Song and Tad S. Sonstegard and Curtis P. Van Tassell and Harris A. Lewin and George E. Liu. (2016). Systematic profiling of short tandem repeats in the cattle genome. Genome Biology and Evolution. doi:10.1093/gbe/evw256
• Lingyang Xu and Yali Hou and Derek M. Bickhart and Yang Zhou and El Hamidi abdel Hay and Jiuzhou Song and Tad S. Sonstegard and Curtis P. Van Tassell and George E. Liu. (2016). Population-genetic properties of differentiated copy number variations in cattle. Scientific Reports. doi:10.1038/srep23161
• Yanghua He and Minyan Song and Yi Zhang and Xizhi Li and Jiuzhou Song and Yuan Zhang and Ying Yu. (2016). Whole-genome regulation analysis of histone H3 lysin 27 trimethylation in subclinical mastitis cows infected by Staphylococcus aureus. BMC Genomics. doi:10.1186/s12864-016-2947-0
• Mark Z. Ma and Ruxian Lin and Jos'e Carrillo and Manisha Bhutani and Ashutosh Pathak and Hening Ren and Yaokun Li and Jiuzhou Song and Li Mao. (2015). ∆ DNMT3B4-del Contributes to Aberrant DNA Methylation Patterns in Lung Tumorigenesis. EBioMedicine. doi:10.1016/j.ebiom.2015.09.002

College of Behavioral and Social Sciences

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• Mai, Gengchen and Xie, Yiqun and Jia, Xiaowei and Lao, Ni and Rao, Jinmeng and Zhu, Qing and Liu, Zeping and Chiang, Yao-Yi and Jiao, Junfeng. (2025). Towards the next generation of Geospatial Artificial Intelligence. International Journal of Applied Earth Observation and Geoinformation. doi:10.1016/j.jag.2025.104368
• Xie, Yiqun and Nhu, Anh N. and Song, Xiao-Peng and Jia, Xiaowei and Skakun, Sergii and Li, Haijun and Wang, Zhihao. (2025). Accounting for spatial variability with geo-aware random forest: A case study for US major crop mapping. Remote Sensing of Environment. doi:10.1016/j.rse.2024.114585
• Chen, Weiye and Xie, Yiqun and Jia, Xiaowei and He, Erhu and Bao, Han and An, Bang and Zhou, Xun. (2024). Referee-Meta-Learning for Fast Adaptation of Locational Fairness. Proceedings of the AAAI Conference on Artificial Intelligence. doi:10.1609/aaai.v38i20.30197
• Mai, Gengchen and Yao, Xiaobai and Xie, Yiqun and Rao, Jinmeng and Li, Hao and Zhu, Qing and Li, Ziyuan and Lao, Ni. (2024). SRL: Towards a General-Purpose Framework for Spatial Representation Learning. SIGSPATIAL 24: Proceedings of the 32nd ACM International Conference on Advances in Geographic Information Systems. doi:10.1145/3678717.3691246
• Wang, Zhihao and Li, Zhili and Xie, Yiqun and Souza Jr., Carlos and Souza Filho, Jailson Soares and Pinheiro, Stefany. (2024). AI-based Validation of Deforestation Using High-Resolution Satellite Imagery in the Brazilian Amazon. The International Archives of the Photogrammetry, Remote Sensing and Spatial Information Sciences. doi:10.5194/isprs-archives-XLVIII-3-2024-583-2024
• Wang, Zhihao and Xie, Yiqun and Li, Zhili and Jia, Xiaowei and Jiang, Zhe and Jia, Aolin and Xu, Shuo. (2024). SimFair: Physics-Guided Fairness-Aware Learning with Simulation Models. Proceedings of the AAAI Conference on Artificial Intelligence. doi:10.1609/aaai.v38i20.30249
• Wang, Zhihao and Xie, Yiqun and Jia, Xiaowei and Ma, Lei and Hurtt, George. (2023). High-Fidelity Deep Approximation of Ecosystem Simulation over Long-Term at Large Scale. SIGSPATIAL 23: Proceedings of the 31st ACM International Conference on Advances in Geographic Information Systems. doi:10.1145/3589132.3625577
• Zhili Li and Yiqun Xie and Xiaowei Jia. (2023). Confidence-based Self-Corrective Learning: An Application in Height Estimation Using Satellite LiDAR and Imagery. Proceedings of the Thirty-Second International Joint Conference on Artificial Intelligence. doi:10.24963/ijcai.2023/671
• Zhili Li, Yiqun Xie, Xiaowei Jia. (2023). Confidence-based Self-Corrective Learning: An Application in Height Estimation Using Satellite LiDAR and Imagery. International Joint Conference on Artificial Intelligence (IJCAI). doi:10.24963/ijcai.2023/671

College of Computer, Mathematical, and Natural Sciences

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• Frimpong, Silas O. and McLane, Nathan and Dietrich, Matthew and Bauer, Garrison A. and Baptiste, Michael R. and Dodson, Leah G. and Taylor, Mercedes K.. (2024). Temperature-dependent structural dynamics in covalent organic frameworks observed by cryogenic infrared spectroscopy. Physical Chemistry Chemical Physics. doi:10.1039/D4CP02338B
• Kim, Mijin and McCann, James J. and Fortner, Jacob and Randall, Ewelina and Chen, Chen and Chen, Yu and Yaari, Zvi and Wang, YuHuang and Koder, Ronald L. and Heller, Daniel A.. (2024). Quantum Defect Sensitization via Phase-Changing Supercharged Antibody Fragments. Journal of the American Chemical Society. doi:10.1021/jacs.4c00149
• Lee, Seungyeop and Fortner, Jacob and Wang, YuHuang. (2024). Defect Pairs in Boron Nitrides That Exhibit Strong Electronic Transitions in the Infrared. The Journal of Physical Chemistry C. doi:10.1021/acs.jpcc.4c01586
• Qu, Haoran and Han, Yulun and Fortner, Jacob and Wu, Xiaojian and Kilina, Svetlana and Kilin, Dmitri and Tretiak, Sergei and Wang, YuHuang. (2024). [2 + 2] Cycloaddition Produces Divalent Organic Color-Centers with Reduced Heterogeneity in Single-Walled Carbon Nanotubes. Journal of the American Chemical Society. doi:10.1021/jacs.4c08105
• Alexander J. Dittmann and Geoffrey Ryan and M. Coleman Miller. (2023). The Decoupling of Binaries from Their Circumbinary Disks. The Astrophysical Journal Letters. doi:10.3847/2041-8213/acd183
• Yin, Rui and Pierce, Brian G.. (2023). Evaluation of AlphaFold antibody–antigen modeling with implications for improving predictive accuracy. Protein Science. doi:10.1002/pro.4865
• Alexander J Dittmann and Geoffrey Ryan. (2022). A survey of disc thickness and viscosity in circumbinary accretion: Binary evolution, variability, and disc morphology. Monthly Notices of the Royal Astronomical Society. doi:10.1093/mnras/stac935
• Ananya Banik and Yunsheng Liu and Saneyuki Ohno and Yannik Rudel and Alberto Jim'enez-Solano and Andrei Gloskovskii and Nella M. Vargas-Barbosa and Yifei Mo and Wolfgang G. Zeier. (2022). Can Substitutions Affect the Oxidative Stability of Lithium Argyrodite Solid Electrolytes?. ACS Applied Energy Materials. doi:10.1021/acsaem.1c03599
• Benjamin Eller and Jacob Fortner and Jacek Klos and YuHuang Wang and Charles W Clark. (2022). Can armchair nanotubes host organic color centers?. Journal of Physics: Condensed Matter. doi:10.1088/1361-648X/ac8f7e
• Emily K. Hockey and Korina Vlahos and Thomas Howard and Jessica Palko and Leah G. Dodson. (2022). Weakly Bound Complex Formation between HCN and CH₃Cl: A Matrix-Isolation and Computational Study. The Journal of Physical Chemistry A. doi:10.1021/acs.jpca.2c00716
• Haoran Qu and Xiaojian Wu and Jacob Fortner and Mijin Kim and Peng Wang and YuHuang Wang. (2022). Reconfiguring Organic Color Centers on the sp² Carbon Lattice of Single-Walled Carbon Nanotubes. ACS Nano. doi:10.1021/acsnano.1c07669
• Matthew S. Radue and Yifei Mo and R.E. Butera. (2022). Dopant precursor adsorption into single-dimer windows: Towards guided self-assembly of dopant arrays on Si(100). Chemical Physics Letters. doi:10.1016/j.cplett.2021.139258
• Mingjin Cui and Chunpeng Yang and Sooyeon Hwang and Menghao Yang and Sean Overa and Qi Dong and Yonggang Yao and Alexandra H. Brozena and David A. Cullen and Miaofang Chi and Thomas F. Blum and David Morris and Zou Finfrock and Xizheng Wang and Peng Zhang and Vitaliy G. Goncharov and Xiaofeng Guo and Jian Luo and Yifei Mo and Feng Jiao and Liangbing Hu. (2022). Multi-principal elemental intermetallic nanoparticles synthesized via a disorder-to-order transition. Science Advances. doi:10.1126/sciadv.abm4322
• Nathan L. Foulk and Robert E. Throckmorton and S. Das Sarma. (2022). Dissipation and gate timing errors in SWAP operations of qubits. Physical Review B. doi:10.1103/PhysRevB.105.155411
• Peng Wang and Jacob Fortner and Hongbin Luo and Jacek Klos and Xiaojian Wu and Haoran Qu and Fu Chen and Yue Li and YuHuang Wang. (2022). Quantum Defects: What Pairs with the Aryl Group When Bonding to the sp² Carbon Lattice of Single-Wall Carbon Nanotubes?. Journal of the American Chemical Society. doi:10.1021/jacs.2c03846
• Robert E. Throckmorton and S. Das Sarma. (2022). Crosstalk- and charge-noise-induced multiqubit decoherence in exchange-coupled quantum dot spin qubit arrays. Physical Review B. doi:10.1103/PhysRevB.105.245413
• Robert E. Throckmorton and S. Das Sarma. (2022). Effects of leakage on the realization of a discrete time crystal in a chain of singlet-triplet qubits. Physical Review B. doi:10.1103/PhysRevB.106.245419
• Takumi Saegusa. (2022). Semiparametric inference for merged data from multiple data sources. Journal of Statistical Planning and Inference. doi:10.1016/j.jspi.2021.05.002
• Tuomo Salmi and Serena Vinciguerra and Devarshi Choudhury and Thomas E. Riley and Anna L. Watts and Ronald A. Remillard and Paul S. Ray and Slavko Bogdanov and Sebastien Guillot and Zaven Arzoumanian and Cecilia Chirenti and Alexander J. Dittmann and Keith C. Gendreau and Wynn C. G. Ho and M. Coleman Miller and Sharon M. Morsink and Zorawar Wadiasingh and Michael T. Wolff. (2022). The Radius of PSR J0740+6620 from NICER with NICER Background Estimates. The Astrophysical Journal. doi:10.3847/1538-4357/ac983d
• Zhenyu Tang and Rohith Aralikatti and Anton Jeran Ratnarajah and Dinesh Manocha. (2022). GWA: A Large High-Quality Acoustic Dataset for Audio Processing. In ACM SIGGRAPH 2022 Conference Proceedings (SIGGRAPH 22). Association for Computing Machinery, New York, NY, USA, Article 36, 1–9. doi:10.1145/3528233.3530731
• Adelaide M. Nolan and Darshana Wickramaratne and Noam Bernstein and Yifei Mo and Michelle D. Johannes. (2021). Li⁺ Diffusion in Amorphous and Crystalline Al₂O₃ for Battery Electrode Coatings. Chemistry of Materials. doi:10.1021/acs.chemmater.1c02239
• Adelaide M. Nolan and Eric D. Wachsman and Yifei Mo. (2021). Computation-guided discovery of coating materials to stabilize the interface between lithium garnet solid electrolyte and high-energy cathodes for all-solid-state lithium batteries. Energy Storage Materials. doi:10.1016/j.ensm.2021.06.027
• Alexander J. Dittmann and Geoffrey Ryan. (2021). Preventing Anomalous Torques in Circumbinary Accretion Simulations. The Astrophysical Journal. doi:10.3847/1538-4357/ac1bbd
• Chen-Fei Liu and Hongyu Wang and Robert T. Martin and Haonan Zhao and Osvaldo Gutierrez and Ming Joo Koh. (2021). Olefin functionalization/isomerization enables stereoselective alkene synthesis. Nature Catalysis. doi:10.1038/s41929-021-00658-2
• Dedi Wang and Pratyush Tiwary. (2021). State predictive information bottleneck. The Journal of Chemical Physics. doi:10.1063/5.0038198
• Eller, Benjamin, Jacek Klos, YuHuang Wang, and Charles Clark. (2021). Finite (6,6) Single-Walled Carbon Nanotubes with Organic Surface Defects as Candidate Single Photon Emitters. APS DAMOP Annual Meeting 2021, May 31-June 4, 2021. doi:
• Eller, Benjamin, Jacek Klos, YuHuang Wang, and Charles Clark. (2021). Finite (6,6) Single-Walled Carbon Nanotubes with Organic Surface Defects as Candidate Single Photon Emitters. NT21: International Conference on the Science and Application of Nanotubes and Low-Dimensional Materials, June 6-11, 2021. Rice University, Houston, Texas, United States. doi:
• Hongyu Wang and Chen-Fei Liu and Robert T. Martin and Osvaldo Gutierrez and Ming Joo Koh. (2021). Directing-group-free catalytic dicarbofunctionalization of unactivated alkenes. Nature Chemistry. doi:10.1038/s41557-021-00836-6
• Joshua C. DeMuth and Zhihui Song and Stephanie H. Carpenter and Theresa E. Boddie and Aleksa Radovi'c and Tessa M. Baker and Osvaldo Gutierrez and Michael L. Neidig. (2021). Experimental and computational studies of the mechanism of iron-catalysed C-H activation/functionalisation with allyl electrophiles. Chemical Science. doi:10.1039/d1sc01661j
• M. C. Miller and F. K. Lamb and A. J. Dittmann and S. Bogdanov and Z. Arzoumanian and K. C. Gendreau and S. Guillot and W. C. G. Ho and J. M. Lattimer and M. Loewenstein and S. M. Morsink and P. S. Ray and M. T. Wolff and C. L. Baker and T. Cazeau and S. Manthripragada and C. B. Markwardt and T. Okajima and S. Pollard and I. Cognard and H. T. Cromartie and E. Fonseca and L. Guillemot and M. Kerr and A. Parthasarathy and T. T. Pennucci and S. Ransom and I. Stairs. (2021). The Radius of PSR J0740+6620 from NICER and XMM-Newton Data. The Astrophysical Journal Letters. doi:10.3847/2041-8213/ac089b
• Mark W. Campbell and Mingbin Yuan and Viktor C. Polites and Osvaldo Gutierrez and Gary A. Molander. (2021). Photochemical C-H Activation Enables Nickel-Catalyzed Olefin Dicarbofunctionalization. Journal of the American Chemical Society. doi:10.1021/jacs.0c13077
• Matthew S. Radue and Sungha Baek and Azadeh Farzaneh and K. J. Dwyer and Quinn Campbell and Andrew D. Baczewski and Ezra Bussmann and George T. Wang and Yifei Mo and Shashank Misra and R. E. Butera. (2021). AlCl₃-Dosed Si(100)-2 exttimes 1: Adsorbates, Chlorinated Al Chains, and Incorporated Al. The Journal of Physical Chemistry C. doi:10.1021/acs.jpcc.1c00691
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• Menghao Yang and Yifei Mo. (2021). Interfacial Defect of Lithium Metal in Solid-State Batteries. Angewandte Chemie International Edition. doi:10.1002/anie.202108144
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• Mingbin Yuan and Osvaldo Gutierrez. (2021). Mechanisms, challenges, and opportunities of dual Ni/ photoredox-catalyzed C(sp ² )-C(sp ³ ) cross-couplings. WIREs Computational Molecular Science. doi:10.1002/wcms.1573
• Mo, Yifei. (2021). Computation Accelerated Design of Materials and Interfaces for All-Solid-State Li-ion Batteries. TRI seminar, Massachusetts Institute of Technology (04/2021) (Invited). doi:
• Mo, Yifei. (2021). Computation Accelerated Design of Materials and Interfaces for Solid-State Batteries. Phonon Science Seminar, SLAC (virtual) (05/2021) (Invited). doi:
• Mo, Yifei. (2021). Data-Driven Discovery of New Materials for Solid-State Batteries. 5th Forum of Materials Genome Engineering, Zhengzhou, China (virtual) (12/2021) (Invited). doi:
• Mo, Yifei. (2021). Interfacial Failure of Lithium Metal in Solid-State Batteries : Insight from Large-Scale Atomistic Modeling. Beyond Lithium Ion XIII, Argonne National Laboratory (virtual) (06/2021) (Invited). doi:
• Mo, Yifei. (2021). Interfacial Failure of Lithium Metal in Solid-State Batteries : Insight from Large-Scale Atomistic Modeling. International Battery Materials Association(IBA) 2021 Annual meeting in Xiamen, China (virtual) (10/2021) (Invited). doi:
• Mo, Yifei. (2021). Interfacial Failure of Lithium Metal in Solid-State Batteries : Insight from Large-Scale Atomistic Modeling. World Conference on Solid Electrolytes for Advanced Applications (virtual) (10/2021) (Invited). doi:
• Mo, Yifei. (2021). Understanding Interfacial Atomistic Mechanisms of Lithium Metal Stripping and Plating in Solid-State Batteries : Insights from Atomistic Modeling. ACS Spring meeting 2021 (04/2021) (Invited). doi:
• Mo, Yifei. (2021). Understanding Interfacial Atomistic Mechanisms of Lithium Metal Stripping and Plating in Solid-State Batteries : Insights from Atomistic Modeling. MRS Spring meeting 2021, Seattle, WA (virtual) (04/2021) (Invited). doi:
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• Rongsheng Jiang and Lei Sun and Chao Sun and Xin-Zhong Liang. (2021). CWRF downscaling and understanding of China precipitation projections. Climate Dynamics. doi:10.1007/s00382-021-05759-z
• Shumin Zhang and Feipeng Zhao and Shuo Wang and Jianwen Liang and Jian Wang and Changhong Wang and Hao Zhang and Keegan Adair and Weihan Li and Minsi Li and Hui Duan and Yang Zhao and Ruizhi Yu and Ruying Li and Huan Huang and Li Zhang and Shangqian Zhao and Shigang Lu and Tsun-Kong Sham and Yifei Mo and Xueliang Sun. (2021). Advanced High-Voltage All-Solid-State Li-Ion Batteries Enabled by a Dual-Halogen Solid Electrolyte. Advanced Energy Materials. doi:10.1002/aenm.202100836
• Slavko Bogdanov and Alexander J. Dittmann and Wynn C. G. Ho and Frederick K. Lamb and Simin Mahmoodifar and M. Coleman Miller and Sharon M. Morsink and Thomas E. Riley and Tod E. Strohmayer and Anna L. Watts and Devarshi Choudhury and Sebastien Guillot and Alice K. Harding and Paul S. Ray and Zorawar Wadiasingh and Michael T. Wolff and Craig B. Markwardt and Zaven Arzoumanian and Keith C. Gendreau. (2021). Constraining the Neutron Star Mass-Radius Relation and Dense Matter Equation of State with NICER. III. Model Description and Verification of Parameter Estimation Codes. The Astrophysical Journal Letters. doi:10.3847/2041-8213/abfb79
• Sun-Ting Tsai and Zachary Smith and Pratyush Tiwary. (2021). SGOOP-d: Estimating Kinetic Distances and Reaction Coordinate Dimensionality for Rare Event Systems from Biased/Unbiased Simulations. Journal of Chemical Theory and Computation. doi:10.1021/acs.jctc.1c00431
• Takumi Saegusa. (2021). Mann-Whitney test for two-phase stratified sampling. Stat. doi:10.1002/sta4.321
• Takumi Saegusa. (2021). Nonparametric inference for distribution functions with stratified samples. Journal of Statistical Planning and Inference. doi:10.1016/j.jspi.2021.05.001
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• Toolika Agrawal and Robert T. Martin and Stephen Collins and Zachary Wilhelm and Mytia D. Edwards and Osvaldo Gutierrez and Joshua D. Sieber. (2021). Access to Chiral Diamine Derivatives through Stereoselective Cu-Catalyzed Reductive Coupling of Imines and Allenamides. The Journal of Organic Chemistry. doi:10.1021/acs.joc.0c02971
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• Bin Xu and Ludovic Troian-Gautier and Ryan Dykstra and Robert T. Martin and Osvaldo Gutierrez and Uttam K. Tambar. (2020). Photocatalyzed Diastereoselective Isomerization of Cinnamyl Chlorides to Cyclopropanes. Journal of the American Chemical Society. doi:10.1021/jacs.0c00147
• Brittany A. Erickson and Junle Jiang and Michael Barall and Nadia Lapusta and Eric M. Dunham and Ruth Harris and Lauren S. Abrahams and Kali L. Allison and Jean-Paul Ampuero and Sylvain Barbot and Camilla Cattania and Ahmed Elbanna and Yuri Fialko and Benjamin Idini and Jeremy E. Kozdon and Val`ere Lambert and Yajing Liu and Yingdi Luo and Xiao Ma and Maricela Best McKay and Paul Segall and Pengcheng Shi and Martijn van den Ende and Meng Wei. (2020). The Community Code Verification Exercise for Simulating Sequences of Earthquakes and Aseismic Slip (SEAS). Seismological Research Letters. doi:10.1785/0220190248
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• Chengwei Wang and Weiwei Ping and Qiang Bai and Huachen Cui and Ryan Hensleigh and Ruiliu Wang and Alexandra H. Brozena and Zhenpeng Xu and Jiaqi Dai and Yong Pei and Chaolun Zheng and Glenn Pastel and Jinlong Gao and Xizheng Wang and Howard Wang and Ji-Cheng Zhao and Bao Yang and Xiaoyu (Rayne) Zheng and Jian Luo and Yifei Mo and Bruce Dunn and Liangbing Hu. (2020). A general method to synthesize and sinter bulk ceramics in seconds. Science. doi:10.1126/science.aaz7681
• Chong-Chong He and Massimo Ricotti and Sam Geen. (2020). Simulating star clusters across cosmic time - II. Escape fraction of ionizing photons from molecular clouds. Monthly Notices of the Royal Astronomical Society. doi:10.1093/mnras/staa165
• Feng Zhu and Md Shafiqul Islam and Lin Zhou and Zhenqi Gu and Ting Liu and Xinchao Wang and Jun Luo and Ce-Wen Nan and Yifei Mo and Cheng Ma. (2020). Single-atom-layer traps in a solid electrolyte for lithium batteries. Nature Communications. doi:10.1038/s41467-020-15544-x
• Hao He and Xin-Zhong Liang and Chao Sun and Zhining Tao and Daniel Q. Tong. (2020). The long-term trend and production sensitivity change in the US ozone pollution from observations and model simulations. Atmospheric Chemistry and Physics. doi:10.5194/acp-20-3191-2020
• Hongyu Wang and Chen-Fei Liu and Zhihui Song and Mingbin Yuan and Yee Ann Ho and Osvaldo Gutierrez and Ming Joo Koh. (2020). Engaging α-Fluorocarboxylic Acids Directly in Decarboxylative C-C Bond Formation. ACS Catalysis. doi:10.1021/acscatal.0c00789
• Jacek Klos and Paul J Dagdigian and Franccois Lique. (2020). Collisional excitation of C+(2P) spin-orbit levels by molecular hydrogen revisited. Monthly Notices of the Royal Astronomical Society: Letters. doi:10.1093/mnrasl/slaa192
• Jianwen Liang and Xiaona Li and Shuo Wang and Keegan R. Adair and Weihan Li and Yang Zhao and Changhong Wang and Yongfeng Hu and Li Zhang and Shangqian Zhao and Shigang Lu and Huan Huang and Ruying Li and Yifei Mo and Xueliang Sun. (2020). Site-Occupation-Tuned Superionic Li_xScCl_3+xHalide Solid Electrolytes for All-Solid-State Batteries. Journal of the American Chemical Society. doi:10.1021/jacs.0c00134
• Kazuyuki Sugimura and Massimo Ricotti. (2020). Structure and instability of the ionization fronts around moving black holes. Monthly Notices of the Royal Astronomical Society. doi:10.1093/mnras/staa1394
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• Lei Liu and Wes Lee and Cassandra R. Youshaw and Mingbin Yuan and Michael B. Geherty and Peter Y. Zavalij and Osvaldo Gutierrez. (2020). Fe-catalyzed three-component dicarbofunctionalization of unactivated alkenes with alkyl halides and Grignard reagents. Chemical Science. doi:10.1039/D0SC02127J
• Lei Liu and Wes Lee and Mingbin Yuan and Chris Acha and Michael B. Geherty and Brandon Williams and Osvaldo Gutierrez. (2020). Intra- and intermolecular Fe-catalyzed dicarbofunctionalization of vinyl cyclopropanes. Chemical Science. doi:10.1039/D0SC00467G
• Lei Sun and Xin-Zhong Liang and Meng Xia. (2020). Developing the Coupled CWRF-FVCOM Modeling System to Understand and Predict Atmosphere-Watershed Interactions Over the Great Lakes Region. Journal of Advances in Modeling Earth Systems. doi:10.1029/2020MS002319
• Lei Sun and Xin-Zhong Liang and Tiejun Ling and Min Xu and Xuhui Lee. (2020). Improving a Multilevel Turbulence Closure Model for a Shallow Lake in Comparison With Other 1-D Models. Journal of Advances in Modeling Earth Systems. doi:10.1029/2019MS001971
• Md Shafiqul Islam and Adelaide M. Nolan and Shuo Wang and Qiang Bai and Yifei Mo. (2020). A Computational Study of Fast Proton Diffusion in Brownmillerite Sr₂Co₂O₅. Chemistry of Materials. doi:10.1021/acs.chemmater.0c00544
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• Pavan Ravindra and Zachary Smith and Pratyush Tiwary. (2020). Automatic mutual information noise omission (AMINO): generating order parameters for molecular systems. Molecular Systems Design &amp$mathsemicolon$ Engineering. doi:10.1039/C9ME00115H
• Peng Wang and Yunfeng Li and Luning Wang and Jacek Klos and Zhiwei Peng and Nam Kim and Hendrik Bluhm and Karen Gaskell and Ping Liu and Sang Bok Lee and Bryan W. Eichhorn and YuHuang Wang. (2020). Probing the electrical double layer by operando X-ray photoelectron spectroscopy through a graphene-carbon nanotube composite window. EcoMat. doi:10.1002/eom2.12023
• Qingquan Li and Tao Wang and Fang Wang and Xin-Zhong Liang and Chongbo Zhao and Lili Dong and Chunyu Zhao and Bing Xie. (2020). Dynamical downscaling simulation of the East Asian summer monsoon in a regional Climate-Weather Research and Forecasting model. International Journal of Climatology. doi:10.1002/joc.6800
• Ruiliu Wang and Weiwei Ping and Chengwei Wang and Yunsheng Liu and Jinlong Gao and Qi Dong and Xizheng Wang and Yifei Mo and Liangbing Hu. (2020). Computation-Guided Synthesis of New Garnet-Type Solid-State Electrolytes via an Ultrafast Sintering Technique. Advanced Materials. doi:10.1002/adma.202005059
• Rusong Chen and Adelaide M. Nolan and Jiaze Lu and Junyang Wang and Xiqian Yu and Yifei Mo and Liquan Chen and Xuejie Huang and Hong Li. (2020). The Thermal Stability of Lithium Solid Electrolytes with Metallic Lithium. Joule. doi:10.1016/j.joule.2020.03.012
• Shashank Pant and Zachary Smith and Yihang Wang and Emad Tajkhorshid and Pratyush Tiwary. (2020). Confronting pitfalls of AI-augmented molecular dynamics using statistical physics. The Journal of Chemical Physics. doi:10.1063/5.0030931
• Songjun Xiao and Wes Lee and Fu Chen and Peter Y. Zavalij and Osvaldo Gutierrez and Jeffery T. Davis. (2020). Oxidation of 8-thioguanosine gives redox-responsive hydrogels and reveals intermediates in a desulfurization pathway. Chemical Communications. doi:10.1039/D0CC02926B
• Sun-Ting Tsai and En-Jui Kuo and Pratyush Tiwary. (2020). Learning molecular dynamics with simple language model built upon long short-term memory neural network. Nature Communications. doi:10.1038/s41467-020-18959-8
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• Takumi Saegusa. (2020). Confidence bands for a distribution function with merged data from multiple sources. Statistics in Transition New Series. doi:10.21307/stattrans-2020-035
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• Takumi Saegusa and Tianzhou Ma and Gang Li and Ying Qing Chen and Mei-Ling Ting Lee. (2020). Variable Selection in Threshold Regression Model with Applications to HIV Drug Adherence Data. Statistics in Biosciences. doi:10.1007/s12561-020-09284-1
• Tianci Zhou and Shenglong Xu and Xiao Chen and Andrew Guo and Brian Swingle. (2020). Operator L'evy Flight: Light Cones in Chaotic Long-Range Interacting Systems. Physical Review Letters. doi:10.1103/PhysRevLett.124.180601
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• Xiaona Li and Qin Ni and Xiuxiu He and Jun Kong and Soon-Mi Lim and Garegin A. Papoian and Jerome P. Trzeciakowski and Andreea Trache and Yi Jiang. (2020). Tensile force-induced cytoskeletal remodeling: Mechanics before chemistry. PLOS Computational Biology. doi:10.1371/journal.pcbi.1007693
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• Yunsheng Liu and Shuo Wang and Adelaide M. Nolan and Chen Ling and Yifei Mo. (2020). Tailoring the Cation Lattice for Chloride Lithium-Ion Conductors. Advanced Energy Materials. doi:10.1002/aenm.202002356
• Zachary Smith and Pavan Ravindra and Yihang Wang and Rory Cooley and Pratyush Tiwary. (2020). Discovering Protein Conformational Flexibility through Artificial-Intelligence-Aided Molecular Dynamics. The Journal of Physical Chemistry B. doi:10.1021/acs.jpcb.0c03985
• Zhining Tao and Hao He and Chao Sun and Daniel Tong and Xin-Zhong Liang. (2020). Impact of Fire Emissions on U.S. Air Quality from 1997 to 2016-A Modeling Study in the Satellite Era. Remote Sensing. doi:10.3390/rs12060913
• Adelaide M. Nolan and Yunsheng Liu and Yifei Mo. (2019). Solid-State Chemistries Stable with High-Energy Cathodes for Lithium-Ion Batteries. ACS Energy Letters. doi:10.1021/acsenergylett.9b01703
• Alexandre M. Sorlin and Jason C. Mixdorf and Madeline E. Rotella and Robert T. Martin and Osvaldo Gutierrez and Hien M. Nguyen. (2019). The Role of Trichloroacetimidate To Enable Iridium-Catalyzed Regio- and Enantioselective Allylic Fluorination: A Combined Experimental and Computational Study. Journal of the American Chemical Society. doi:10.1021/jacs.9b07575
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• Austin Virtue and Xiuquan Zhou and Brandon Wilfong and Jeffrey W. Lynn and Keith Taddei and Peter Zavalij and Limin Wang and Efrain E. Rodriguez. (2019). Magnetic order effects on the electronic structure of K M MnS₂ (M = Cu, Li) with the ThCr₂Si₂-type structure. Physical Review Materials. doi:10.1103/PhysRevMaterials.3.044411
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• Da-Lin Zhang and Menglin S. Jin and Yixuan Shou and Chunqing Dong. (2019). The Influences of Urban Building Complexes on the Ambient Flows over the Washington-Reston Region. Journal of Applied Meteorology and Climatology. doi:10.1175/JAMC-D-19-0037.1
• Daxian Cao and Yubin Zhang and Adelaide M. Nolan and Xiao Sun and Chao Liu and Jinzhi Sheng and Yifei Mo and Yan Wang and Hongli Zhu. (2019). Stable Thiophosphate-Based All-Solid-State Lithium Batteries through Conformally Interfacial Nanocoating. Nano Letters. doi:10.1021/acs.nanolett.9b02678
• Debabrata Pramanik and Zachary Smith and Adam Kells and Pratyush Tiwary. (2019). Can One Trust Kinetic and Thermodynamic Observables from Biased Metadynamics Simulations?: Detailed Quantitative Benchmarks on Millimolar Drug Fragment Dissociation. The Journal of Physical Chemistry B. doi:10.1021/acs.jpcb.9b01813
• Eviatar Bach and Safa Motesharrei and Eugenia Kalnay and Alfredo Ruiz-Barradas. (2019). Local Atmosphere-Ocean Predictability: Dynamical Origins, Lead Times, and Seasonality. Journal of Climate. doi:10.1175/JCLI-D-18-0817.1
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• Kenneth Duru and Kali L Allison and Maxime Rivet and Eric M Dunham. (2019). Dynamic rupture and earthquake sequence simulations using the wave equation in second-order form. Geophysical Journal International. doi:10.1093/gji/ggz319
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• Takumi Saegusa. (2019). Large sample theory for merged data from multiple sources. The Annals of Statistics. doi:10.1214/18-AOS1727
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• Tobias Grass. (2019). Quantum Annealing with Longitudinal Bias Fields. Physical Review Letters. doi:10.1103/PhysRevLett.123.120501
• Wes Lee and Mingbin Yuan and Christopher Acha and Ashley Onwu and Osvaldo Gutierrez. (2019). Mechanism of nitrones and allenoates cascade reactions for the synthesis of dihydro[1,2-a]indoles. Organic &amp$mathsemicolon$ Biomolecular Chemistry. doi:10.1039/c8ob02346h
• William Miller and Da-Lin Zhang. (2019). A Three-Dimensional Trajectory Model with Advection Correction for Tropical Cyclones: Algorithm Description and Tests for Accuracy. Monthly Weather Review. doi:10.1175/MWR-D-18-0434.1
• William Miller and Da-Lin Zhang. (2019). Understanding the Unusual Looping Track of Hurricane Joaquin (2015) and Its Forecast Errors. Monthly Weather Review. doi:10.1175/MWR-D-18-0331.1
• Xin Liu and Da-Lin Zhang and Jian Guan. (2019). Parameterizing Sea Surface Temperature Cooling Induced by Tropical Cyclones: 2. Verification by Ocean Drifters. Journal of Geophysical Research: Oceans. doi:10.1029/2018JC014118
• Xin Liu and Jun Wei and Da-Lin Zhang and William Miller. (2019). Parameterizing Sea Surface Temperature Cooling Induced by Tropical Cyclones: 1. Theory and An Application to Typhoon Matsa (2005). Journal of Geophysical Research: Oceans. doi:10.1029/2018JC014117
• Xin-Zhong Liang and Qi Li and Haixia Mei and Mingjian Zeng. (2019). Multi-Grid Nesting Ability to Represent Convections Across the Gray Zone. Journal of Advances in Modeling Earth Systems. doi:10.1029/2019MS001741
• Xingfeng He and Qiang Bai and Yunsheng Liu and Adelaide M. Nolan and Chen Ling and Yifei Mo. (2019). Crystal Structural Framework of Lithium Super-Ionic Conductors. Advanced Energy Materials. doi:10.1002/aenm.201902078
• Yanjun Gan and Xin-Zhong Liang and Qingyun Duan and Fei Chen and Jianduo Li and Yu Zhang. (2019). Assessment and Reduction of the Physical Parameterization Uncertainty for Noah-MP Land Surface Model. Water Resources Research. doi:10.1029/2019WR024814
• Yao Liu and Qiang Bai and Adelaide M. Nolan and Yongning Zhou and Yonggang Wang and Yifei Mo and Yongyao Xia. (2019). Lithium ion storage in lithium titanium germanate. Nano Energy. doi:10.1016/j.nanoen.2019.104094
• Yihang Wang and Jo~ao Marcelo Lamim Ribeiro and Pratyush Tiwary. (2019). Past-future information bottleneck for sampling molecular reaction coordinate simultaneously with thermodynamics and kinetics. Nature Communications. doi:10.1038/s41467-019-11405-4
• Ying Zhang and Xingfeng He and Zhiqian Chen and Qiang Bai and Adelaide M. Nolan and Charles A. Roberts and Debasish Banerjee and Tomoya Matsunaga and Yifei Mo and Chen Ling. (2019). Unsupervised discovery of solid-state lithium ion conductors. Nature Communications. doi:10.1038/s41467-019-13214-1
• Youran Luo and 'Alvaro Guti'errez-Bonet and Jennifer K. Matsui and Madeline E. Rotella and Ryan Dykstra and Osvaldo Gutierrez and Gary A. Molander. (2019). Oxa- and Azabenzonorbornadienes as Electrophilic Partners under Photoredox/Nickel Dual Catalysis. ACS Catalysis. doi:10.1021/acscatal.9b02458
• Zhantao Liu and Tatiana Zinkevich and Sylvio Indris and Xingfeng He and Jue Liu and Wenqian Xu and Jianming Bai and Shan Xiong and Yifei Mo and Hailong Chen. (2019). Li₁₅P₄S₁₆Cl₃, a Lithium Chlorothiophosphate as a Solid-State Ionic Conductor. Inorganic Chemistry. doi:10.1021/acs.inorgchem.9b01751
• Adelaide M. Nolan and Yizhou Zhu and Xingfeng He and Qiang Bai and Yifei Mo. (2018). Computation-Accelerated Design of Materials and Interfaces for All-Solid-State Lithium-Ion Batteries. Joule. doi:10.1016/j.joule.2018.08.017
• Blake Hartley and Massimo Ricotti. (2018). ARC: adaptive ray-tracing with CUDA, a new ray tracing code for parallel GPUs. Monthly Notices of the Royal Astronomical Society. doi:10.1093/mnras/sty2753
• Brandon Wilfong and Xiuquan Zhou and Hector Vivanco and Daniel J. Campbell and Kefeng Wang and Dave Graf and Johnpierre Paglione and Efrain Rodriguez. (2018). Frustrated magnetism in the tetragonal CoSe analog of superconducting FeSe. Physical Review B. doi:10.1103/PhysRevB.97.104408
• Chao Sun, X. Z. Liang. (2018). Using CWRF Multi-physics Ensemble to Improve Extreme Precipitation Prediction. AGU Fall Meeting. 2018. doi:
• Fangli Liu and James R. Garrison and Dong-Ling Deng and Zhe-Xuan Gong and Alexey V. Gorshkov. (2018). Asymmetric Particle Transport and Light-Cone Dynamics Induced by Anyonic Statistics. Physical Review Letters. doi:10.1103/PhysRevLett.121.250404
• Florian Thuillet and Patrick Michel and Clara Maurel and Ronald-Louis Ballouz and Yun Zhang and Derek C. Richardson and Jens Biele and Eri Tatsumi and Seiji Sugita. (2018). Numerical modeling of lander interaction with a low-gravity asteroid regolith surface. Astronomy &amp$mathsemicolon$ Astrophysics. doi:10.1051/0004-6361/201832779
• Giovanni Bussi and Alessandro Laio and Pratyush Tiwary. (2018). Metadynamics: A Unified Framework for Accelerating Rare Events and Sampling Thermodynamics and Kinetics. In: Andreoni, W., Yip, S. (eds) Handbook of Materials Modeling . Springer, Cham. doi:10.1007/978-3-319-42913-7_49-1
• Hao He and Xin-Zhong Liang and Donald J. Wuebbles. (2018). Effects of emissions change, climate change and long-range transport on regional modeling of future U.S. particulate matter pollution and speciation. Atmospheric Environment. doi:10.1016/j.atmosenv.2018.02.020
• Hao Wu and Peter G. Wolynes and Garegin A. Papoian. (2018). AWSEM-IDP: A Coarse-Grained Force Field for Intrinsically Disordered Proteins. The Journal of Physical Chemistry B. doi:10.1021/acs.jpcb.8b05791
• He, Y.; SUN, C.; Liang, X. Z.; Jaiswal, D.; Long, S.. (2018). A coupled modeling system for studying the impacts of growing biofuel crops in marginal lands on the food-energy-water nexus. AGU Fall Meeting. 2018. doi:
• Jacob Bringewatt and William Dorland and Stephen P. Jordan and Alan Mink. (2018). Diffusion Monte Carlo approach versus adiabatic computation for local Hamiltonians. Physical Review A. doi:10.1103/PhysRevA.97.022323
• James E. Komianos and Garegin A. Papoian. (2018). Stochastic Ratcheting on a Funneled Energy Landscape Is Necessary for Highly Efficient Contractility of Actomyosin Force Dipoles. Physical Review X. doi:10.1103/PhysRevX.8.021006
• James P. Phelan and Simon B. Lang and Jordan S. Compton and Christopher B. Kelly and Ryan Dykstra and Osvaldo Gutierrez and Gary A. Molander. (2018). Redox-Neutral Photocatalytic Cyclopropanation via Radical/Polar Crossover. Journal of the American Chemical Society. doi:10.1021/jacs.8b05243
• Jared P. May and Xuefeng Yuan and Erika Sawicki and Anne E. Simon. (2018). RNA virus evasion of nonsense-mediated decay. PLOS Pathogens. doi:10.1371/journal.ppat.1007459
• Jennifer K. Matsui and 'Alvaro Guti'errez-Bonet and Madeline Rotella and Rauful Alam and Osvaldo Gutierrez and Gary A. Molander. (2018). Photoredox/Nickel-Catalyzed Single-Electron Tsuji-Trost Reaction: Development and Mechanistic Insights. Angewandte Chemie. doi:10.1002/ange.201809919
• Jiang, R.; Liang, X. Z.; Sun, C.. (2018). Evaluation of Planetary Boundary Layer Parameterizations for U.S. Climate Simulation. AGU Fall Meeting. 2018. doi:
• Jo~ao Marcelo Lamim Ribeiro and Pablo Bravo and Yihang Wang and Pratyush Tiwary. (2018). Reweighted autoencoded variational Bayes for enhanced sampling (RAVE). The Journal of Chemical Physics. doi:10.1063/1.5025487
• Jo~ao Marcelo Lamim Ribeiro and Pratyush Tiwary. (2018). Toward Achieving Efficient and Accurate Ligand-Protein Unbinding with Deep Learning and Molecular Dynamics through RAVE. Journal of Chemical Theory and Computation. doi:10.1021/acs.jctc.8b00869
• Jo~ao Marcelo Lamim Ribeiro and Sun-Ting Tsai and Debabrata Pramanik and Yihang Wang and Pratyush Tiwary. (2018). Kinetics of Ligand-Protein Dissociation from All-Atom Simulations: Are We There Yet?. Biochemistry. doi:10.1021/acs.biochem.8b00977
• Keith B. Sutyak and Wes Lee and Peter V. Zavalij and Osvaldo Gutierrez and Jeffery T. Davis. (2018). Templating and Catalyzing [2+2] Photocycloaddition in Solution Using a Dynamic G-Quadruplex. Angewandte Chemie International Edition. doi:10.1002/anie.201811202
• Lei Liu and Wes Lee and Mingbin Yuan and Osvaldo Gutierrez. (2018). Mechanisms of Bisphosphine Iron-Catalyzed C(SP²)-C(SP³) Cross-Coupling Reactions: Inner-Sphere or Outer-Sphere Arylation?. Comments on Inorganic Chemistry. doi:10.1080/02603594.2018.1539392
• Mar'ia Jes'us Cabrera-Afonso and Zhi-Peng Lu and Christopher B. Kelly and Simon B. Lang and Ryan Dykstra and Osvaldo Gutierrez and Gary A. Molander. (2018). Engaging sulfinate salts via Ni/photoredox dual catalysis enables facile C_sp2-SO₂R coupling. Chemical Science. doi:10.1039/c7sc05402e
• Nannan Qin and Da-Lin Zhang. (2018). On the Extraordinary Intensification of Hurricane Patricia (2015). Part I: Numerical Experiments. Weather and Forecasting. doi:10.1175/WAF-D-18-0045.1
• Nannan Qin and Da-Lin Zhang and William Miller and Chanh Q. Kieu. (2018). On the rapid intensification of Hurricane Wilma (2005). Part IV: Inner-core dynamics during the steady radius of maximum wind stage. Quarterly Journal of the Royal Meteorological Society. doi:10.1002/qj.3339
• Pratyush Tiwary. (2018). Designing dynamical maps for biomolecules with statistical mechanics & predictive artificial intelligence. Workshop on free energy methods, kinetics and markov state models in drug design at Novartis Institutes for Biomedical Research, Boston. doi:
• Pratyush Tiwary. (2018). Identifying and enhancing important fluctuations in complex systems with Maximum Caliber and Metadynamics. Exploring and quantifying rough free energy landscapes at International School of Statistical Physics, Erice, Sicily, Italy. doi:
• Pratyush Tiwary. (2018). Water in Drug Unbinding: Actor, Director or Sidekick? Insights from Predictive All-Atom Simulations. Gordon Research Conference on Water and Aqueous Solutions, New Hampshire. doi:
• Qiang Bai and Xingfeng He and Yizhou Zhu and Yifei Mo. (2018). First-Principles Study of Oxyhydride H^- Ion Conductors: Toward Facile Anion Conduction in Oxide-Based Materials. ACS Applied Energy Materials. doi:10.1021/acsaem.8b00077
• Ragul Gowthaman and Brian G Pierce. (2018). TCRmodel: high resolution modeling of T cell receptors from sequence. Nucleic Acids Research. doi:10.1093/nar/gky432
• Sun, Lei, X. Z. Liang, M. Xu, T. Ling, and X. Lee. (2018). Evaluation of a multilevel turbulence closure model for shallow lakes against other models.. AGU Fall Meeting. 2018. doi:
• Xin-Zhong Liang and Chao Sun and Xiaohui Zheng and Yongjiu Dai and Min Xu and Hyun I. Choi and Tiejun Ling and Fengxue Qiao and Xianghui Kong and Xunqiang Bi and Lianchun Song and Fang Wang. (2018). CWRF performance at downscaling China climate characteristics. Climate Dynamics. doi:10.1007/s00382-018-4257-5
• Xing Yuan and Peng Ji and Linying Wang and Xin-Zhong Liang and Kun Yang and Aizhong Ye and Zhongbo Su and Jun Wen. (2018). High-Resolution Land Surface Modeling of Hydrological Changes Over the Sanjiangyuan Region in the Eastern Tibetan Plateau: 1. Model Development and Evaluation. Journal of Advances in Modeling Earth Systems. doi:10.1029/2018MS001412
• Xingfeng He and Yizhou Zhu and Alexander Epstein and Yifei Mo. (2018). Statistical variances of diffusional properties from ab initio molecular dynamics simulations. npj Computational Materials. doi:10.1038/s41524-018-0074-y
• Xiulin Fan and Enyuan Hu and Xiao Ji and Yizhou Zhu and Fudong Han and Sooyeon Hwang and Jue Liu and Seongmin Bak and Zhaohui Ma and Tao Gao and Sz-Chian Liou and Jianming Bai and Xiao-Qing Yang and Yifei Mo and Kang Xu and Dong Su and Chunsheng Wang. (2018). High energy-density and reversibility of iron fluoride cathode enabled via an intercalation-extrusion reaction. Nature Communications. doi:10.1038/s41467-018-04476-2
• Xuetian Ma and Adelaide M. Nolan and Shuo Zhang and Jianming Bai and Wenqian Xu and Lijun Wu and Yifei Mo and Hailong Chen. (2018). Guiding Synthesis of Polymorphs of Materials Using Nanometric Phase Diagrams. Journal of the American Chemical Society. doi:10.1021/jacs.8b11029
• Y. Mo. (2018). Computation Accelerated Design of Materials and Interfaces for Solid-State Batteries. 21st International Conference on Ternary and Multinary Compounds, Boulder, CO (09/2018) (Invited). doi:
• Y. Mo. (2018). Design Principles for Solid Electrolyte–Electrode Interfaces in All-Solid-State Li-Ion Batteries : Insight from First-Principles Computation. MRS Fall meeting, Boston MA (11/2018), ET06.02.04, (Invited). doi:
• Y. Mo. (2018). Understanding Fast Ion Diffusion in Super-Ionic Conductors and Computational Materials Design. MRS Fall meeting, Boston, MA (11/2018) (Invited). doi:
• Yan Li and Eugenia Kalnay and Safa Motesharrei and Jorge Rivas and Fred Kucharski and Daniel Kirk-Davidoff and Eviatar Bach and Ning Zeng. (2018). Climate model shows large-scale wind and solar farms in the Sahara increase rain and vegetation. Science. doi:10.1126/science.aar5629
• Yanjun Gan and Xin-Zhong Liang and Qingyun Duan and Aizhong Ye and Zhenhua Di and Yang Hong and Jianduo Li. (2018). A systematic assessment and reduction of parametric uncertainties for a distributed hydrological model. Journal of Hydrology. doi:10.1016/j.jhydrol.2018.07.055
• Yong Wang and Omar Valsson and Pratyush Tiwary and Michele Parrinello and Kresten Lindorff-Larsen. (2018). Frequency adaptive metadynamics for the calculation of rare-event kinetics. The Journal of Chemical Physics. doi:10.1063/1.5024679
• Yun Zhang and Derek C. Richardson and Olivier S. Barnouin and Patrick Michel and Stephen R. Schwartz and Ronald-Louis Ballouz. (2018). Rotational Failure of Rubble-pile Bodies: Influences of Shear and Cohesive Strengths. The Astrophysical Journal. doi:10.3847/1538-4357/aab5b2
• Yuxi Lu and Ronald-Louis Ballouz and Derek C. Richardson. (2018). Exploring Shear-free Ringlet Formation with Direct Simulations of Saturn's B Rings. The Astronomical Journal. doi:10.3847/1538-3881/aad688
• Zachary Smith and Debabrata Pramanik and Sun-Ting Tsai and Pratyush Tiwary. (2018). Multi-dimensional spectral gap optimization of order parameters (SGOOP) through conditional probability factorization. The Journal of Chemical Physics. doi:10.1063/1.5064856
• Carlos Castillo and Soham De and Xintong Han and Bharat Singh and Abhay Kumar Yadav and Tom Goldstein. (2017). Son of Zorn's lemma: Targeted style transfer using instance-aware semantic segmentation. 2017 IEEE International Conference on Acoustics, Speech and Signal Processing (ICASSP), 2017, pp. 1348-1352. doi:10.1109/ICASSP.2017.7952376
• Jung Hoon Shin and Da-Lin Zhang. (2017). The Impact of Moist Frontogenesis and Tropopause Undulation on the Intensity, Size, and Structural Changes of Hurricane Sandy (2012). Journal of the Atmospheric Sciences. doi:10.1175/JAS-D-15-0362.1
• Kun (Kelvin) Fu and Yunhui Gong and Boyang Liu and Yizhou Zhu and Shaomao Xu and Yonggang Yao and Wei Luo and Chengwei Wang and Steven D. Lacey and Jiaqi Dai and Yanan Chen and Yifei Mo and Eric Wachsman and Liangbing Hu. (2017). Toward garnet electrolyte-based Li metal batteries: An ultrathin, highly effective, artificial solid-state electrolyte/metallic Li interface. Science Advances. doi:10.1126/sciadv.1601659
• Liu, Guanzhou and Xinzhong Liang. (2017). Progress of the Climate Extension of Weather Research and Forecast (CWRF) Model Appliation in China. Advances in Earth Science 32(7) 781-787. 2017. doi:10.11867/j.issn.1001-8166.2017.07.0781
• Matthew A. Conte and William J. Gammerdinger and Kerry L. Bartie and David J. Penman and Thomas D. Kocher. (2017). A high quality assembly of the Nile Tilapia (Oreochromis niloticus) genome reveals the structure of two sex determination regions. BMC Genomics. doi:10.1186/s12864-017-3723-5
• Peng Ji and Xing Yuan and Xin-Zhong Liang. (2017). Do Lateral Flows Matter for the Hyperresolution Land Surface Modeling?. Journal of Geophysical Research: Atmospheres. doi:10.1002/2017JD027366
• Peng Zhou and Xintong Han and Vlad I. Morariu and Larry S. Davis. (2017). Two-Stream Neural Networks for Tampered Face Detection. 2017 IEEE Conference on Computer Vision and Pattern Recognition Workshops (CVPRW), 2017, pp. 1831-1839. doi:10.1109/CVPRW.2017.229
• Pratyush Tiwary. (2017). Molecular Determinants and Bottlenecks in the Dissociation Dynamics of Biotin-Streptavidin. The Journal of Physical Chemistry B. doi:10.1021/acs.jpcb.7b09510
• Qiang Bai and Yizhou Zhu and Xingfeng He and Eric Wachsman and Yifei Mo. (2017). First principles hybrid functional study of small polarons in doped SrCeO3 perovskite: towards computation design of materials with tailored polaron. Ionics. doi:10.1007/s11581-017-2268-6
• Ronald-Louis Ballouz and Derek C. Richardson and Ryuji Morishima. (2017). Numerical Simulations of Saturn's B Ring: Granular Friction as a Mediator between Self-gravity Wakes and Viscous Overstability. The Astronomical Journal. doi:10.3847/1538-3881/AA60BE
• Venkataraman Santhanam, Vlad I. Morariu, and Larry S. Davis. (2017). Generalized Deep Image to Image Regression. The IEEE Conference on Computer Vision and Pattern Recognition (CVPR) [Spotlight], July 2017. doi:
• W. S. Cole, K. W. Mahmud, J. D. Sau and I. B. Spielman. (2017). Phase transitions and emergent gauge potentials in strongly interacting spin-orbit coupled bosons. APS March Meeting 2017, abstract id. E13.010. doi:
• Wei Luo and Yunhui Gong and Yizhou Zhu and Yiju Li and Yonggang Yao and Ying Zhang and Kun (Kelvin) Fu and Glenn Pastel and Chuan-Fu Lin and Yifei Mo and Eric D. Wachsman and Liangbing Hu. (2017). Reducing Interfacial Resistance between Garnet-Structured Solid-State Electrolyte and Li-Metal Anode by a Germanium Layer. Advanced Materials. doi:10.1002/adma.201606042
• Wes Lee and Jun Zhou and Osvaldo Gutierrez. (2017). Mechanism of Nakamura's Bisphosphine-Iron-Catalyzed Asymmetric C(sp²)-C(sp³) Cross-Coupling Reaction: The Role of Spin in Controlling Arylation Pathways. Journal of the American Chemical Society. doi:10.1021/jacs.7b06377
• Xin-Zhong Liang and You Wu and Robert G. Chambers and Daniel L. Schmoldt and Wei Gao and Chaoshun Liu and Yan-An Liu and Chao Sun and Jennifer A. Kennedy. (2017). Determining climate effects on US total agricultural productivity. Proceedings of the National Academy of Sciences. doi:10.1073/pnas.1615922114
• Xingfeng He and Yizhou Zhu and Yifei Mo. (2017). Origin of fast ion diffusion in super-ionic conductors. Nature Communications. doi:10.1038/ncomms15893
• Xintong Han and Bharat Singh and Vlad I. Morariu and Larry S. Davis. (2017). VRFP: On-the-Fly Video Retrieval Using Web Images and Fast Fisher Vector Products. IEEE Transactions on Multimedia. doi:10.1109/TMM.2017.2671414
• Xintong Han and Zuxuan Wu and Yu-Gang Jiang and Larry S. Davis. (2017). Learning Fashion Compatibility with Bidirectional LSTMs. In Proceedings of the 25th ACM international conference on Multimedia (MM 17). Association for Computing Machinery, New York, NY, USA, 1078–1086.. doi:10.1145/3123266.3123394
• Xiuquan Zhou and Efrain E. Rodriguez. (2017). Tetrahedral Transition Metal Chalcogenides as Functional Inorganic Materials. Chemistry of Materials. doi:10.1021/acs.chemmater.7b01561
• Yizhou Zhu and Xingfeng He and Yifei Mo. (2017). Strategies Based on Nitride Materials Chemistry to Stabilize Li Metal Anode. Advanced Science. doi:10.1002/advs.201600517
• Yun Zhang and Derek C. Richardson and Olivier S. Barnouin and Clara Maurel and Patrick Michel and Stephen R. Schwartz and Ronald-Louis Ballouz and Lance A.M. Benner and Shantanu P. Naidu and Junfeng Li. (2017). Creep stability of the proposed AIDA mission target 65803 Didymos: I. Discrete cohesionless granular physics model. Icarus. doi:10.1016/j.icarus.2017.04.027
• Bharat Singh and Tim K. Marks and Michael Jones and Oncel Tuzel and Ming Shao. (2016). A Multi-stream Bi-directional Recurrent Neural Network for Fine-Grained Action Detection. 2016 IEEE Conference on Computer Vision and Pattern Recognition (CVPR), 2016, pp. 1961-1970. doi:10.1109/CVPR.2016.216
• Bin Cao and Khan W. Mahmud and Mohammad Hafezi. (2016). Two coupled nonlinear cavities in a driven-dissipative environment. Physical Review A. doi:10.1103/PhysRevA.94.063805
• Blake Hartley and Massimo Ricotti. (2016). Modelling reionization in a bursty universe. Monthly Notices of the Royal Astronomical Society. doi:10.1093/mnras/stw1562
• Clara Maurel and Ronald-Louis Ballouz and Derek C. Richardson and Patrick Michel and Stephen R. Schwartz. (2016). Numerical simulations of oscillation-driven regolith motion: Brazil-nut effect. Monthly Notices of the Royal Astronomical Society. doi:10.1093/mnras/stw2641
• Fengxue Qiao and Xin-Zhong Liang. (2016). Effects of cumulus parameterization closures on simulations of summer precipitation over the United States coastal oceans. Journal of Advances in Modeling Earth Systems. doi:10.1002/2015MS000621
• Fengxue Qiao and Xin-Zhong Liang. (2016). Effects of cumulus parameterization closures on simulations of summer precipitation over the continental United States. Climate Dynamics. doi:10.1007/s00382-016-3338-6
• Fudong Han and Yizhou Zhu and Xingfeng He and Yifei Mo and Chunsheng Wang. (2016). Electrochemical Stability of Li₁₀ GeP₂ S₁₂ and Li₇ La₃ Zr₂ O₁₂ Solid Electrolytes. Advanced Energy Materials. doi:10.1002/aenm.201501590
• Haiqing Zhao and David Winogradoff and Minh Bui and Yamini Dalal and Garegin A. Papoian. (2016). Promiscuous Histone Mis-Assembly Is Actively Prevented by Chaperones. Journal of the American Chemical Society. doi:10.1021/jacs.6b05355
• Hao He and Xin-Zhong Liang and Hang Lei and Donald J. Wuebbles. (2016). Future U.S. ozone projections dependence on regional emissions, climate change, long-range transport and differences in modeling design. Atmospheric Environment. doi:10.1016/j.atmosenv.2015.12.064
• J. H. Pixley and Pallab Goswami and S. Das Sarma. (2016). Disorder-driven itinerant quantum criticality of three-dimensional massless Dirac fermions. Physical Review B. doi:10.1103/PhysRevB.93.085103
• K. W. Mahmud, R. Wilson, M. Foss-Feig, M. Hafezi. (2016). Driven-dissipative bosons in open boundary and inhomogeneous cavity arrays. APS March Meeting 2016, abstract id. B50.011. doi:
• Kai He and Sen Zhang and Jing Li and Xiqian Yu and Qingping Meng and Yizhou Zhu and Enyuan Hu and Ke Sun and Hongseok Yun and Xiao-Qing Yang and Yimei Zhu and Hong Gan and Yifei Mo and Eric A. Stach and Christopher B. Murray and Dong Su. (2016). Visualizing non-equilibrium lithiation of spinel oxide via in situ transmission electron microscopy. Nature Communications. doi:10.1038/ncomms11441
• Ke Fang and Kumiko Kotera and M. Coleman Miller and Kohta Murase and Foteini Oikonomou. (2016). Identifying ultrahigh-energy cosmic-ray accelerators with future ultrahigh-energy neutrino detectors. Journal of Cosmology and Astroparticle Physics. doi:10.1088/1475-7516/2016/12/017
• Ke Fang and M. Coleman Miller. (2016). A NEW METHOD FOR FINDING POINT SOURCES IN HIGH-ENERGY NEUTRINO DATA. The Astrophysical Journal. doi:10.3847/0004-637X/826/2/102
• Konstantin Popov and James Komianos and Garegin A. Papoian. (2016). MEDYAN: Mechanochemical Simulations of Contraction and Polarity Alignment in Actomyosin Networks. PLOS Computational Biology. doi:10.1371/journal.pcbi.1004877
• Massimo Ricotti and Owen H. Parry and Nickolay Y. Gnedin. (2016). A COMMON ORIGIN FOR GLOBULAR CLUSTERS AND ULTRA-FAINT DWARFS IN SIMULATIONS OF THE FIRST GALAXIES. The Astrophysical Journal. doi:10.3847/0004-637X/831/2/204
• Mo, YF. (2016). Accelerating Materials Design and Discovery using Computational Approaches. TechConnect World Innovation Conference, DC (05/2016) (Invited). doi:
• Mo, YF. (2016). Critical Roles of Interface Engineering in All-Solid-State Li-Ion Batteries: Insights from First Principles Calculations. ECS meeting, San Diego, CA (05/2016) (Invited). doi:
• Mo, YF. (2016). Design Solid Electrolyte with High Ionic Conductivity and Enhanced Stability using First Principles Computation. ACS Meeting, San Diego, CA (03/2016) (Invited). doi:
• Mo, YF. (2016). Overcoming Materials Challenges in All-Solid-State Li-ion Batteries: Insights from Computational Modeling. TechConnect World Innovation Conference, DC (05/2016). doi:
• Mo, YF. (2016). Towards Computational Design of Solid Interfaces using First Principles Computation - A Case Study in All-Solid-State Li-ion Battery. MRS Spring Meeting, Phoenix, AZ (03/2016). doi:
• Mo, YF. (2016). Understanding Solid Interfaces in All-Solid-State Li-ion Batteries: Insights from First Principles Computation. ACS Meeting, San Diego, CA (03/2016) (Invited). doi:
• Mo, YF. (2016). Understanding Solid Interfaces in All-Solid-State Li-ion Batteries: Insights from First Principles Computation. MRS Spring Meeting, Phoenix, AZ (03/2016). doi:
• Nannan Qin and Da-Lin Zhang and Ying Li. (2016). A Statistical Analysis of Steady Eyewall Sizes Associated with Rapidly Intensifying Hurricanes. Weather and Forecasting. doi:10.1175/WAF-D-16-0016.1
• Ryan M. Wilson and Khan W. Mahmud and Anzi Hu and Alexey V. Gorshkov and Mohammad Hafezi and Michael Foss-Feig. (2016). Collective phases of strongly interacting cavity photons. Physical Review A. doi:10.1103/PhysRevA.94.033801
• Stephen R. Schwartz and Yang Yu and Patrick Michel and Martin Jutzi. (2016). Small-body deflection techniques using spacecraft: Techniques in simulating the fate of ejecta. Advances in Space Research. doi:10.1016/j.asr.2015.12.042
• Wei Luo and Yunhui Gong and Yizhou Zhu and Kun Kelvin Fu and Jiaqi Dai and Steven D. Lacey and Chengwei Wang and Boyang Liu and Xiaogang Han and Yifei Mo and Eric D. Wachsman and Liangbing Hu. (2016). Transition from Superlithiophobicity to Superlithiophilicity of Garnet Solid-State Electrolyte. Journal of the American Chemical Society. doi:10.1021/jacs.6b06777
• Xiaogang Han and Yunhui Gong and Kun Fu and Xingfeng He and Gregory T. Hitz and Jiaqi Dai and Alex Pearse and Boyang Liu and Howard Wang and Gary Rubloff and Yifei Mo and Venkataraman Thangadurai and Eric D. Wachsman and Liangbing Hu. (2016). Negating interfacial impedance in garnet-based solid-state Li metal batteries. Nature Materials. doi:10.1038/nmat4821
• Xing-Nuo Li and Clark D. Ridge and Eugene P. Mazzola and Jianghao Sun and Osvaldo Gutierrez and Arvin Moser and Joseph C. DiMartino and Scott A. MacDonald and Pei Chen. (2016). Application of a computer-assisted structure elucidation program for the structural determination of a new terpenoid aldehyde with an unusual skeleton. Magnetic Resonance in Chemistry. doi:10.1002/mrc.4466
• Xiuquan Zhou and Brandon Wilfong and Hector Vivanco and Johnpierre Paglione and Craig M. Brown and Efrain E. Rodriguez. (2016). Metastable Layered Cobalt Chalcogenides from Topochemical Deintercalation. Journal of the American Chemical Society. doi:10.1021/jacs.6b10229
• Yizhou Zhu and Xingfeng He and Yifei Mo. (2016). First principles study on electrochemical and chemical stability of solid electrolyte-electrode interfaces in all-solid-state Li-ion batteries. Journal of Materials Chemistry A. doi:10.1039/c5ta08574h
• Zhen-Yong Keck and Yong Wang and Patrick Lau and Garry Lund and Sneha Rangarajan and Catherine Fauvelle and Grant C. Liao and Frederick W. Holtsberg and Kelly L. Warfield and M. Javad Aman and Brian G. Pierce and Thomas R. Fuerst and Justin R. Bailey and Thomas F. Baumert and Roy A. Mariuzza and Norman M. Kneteman and Steven K.H. Foung. (2016). Affinity maturation of a broadly neutralizing human monoclonal antibody that prevents acute hepatitis C virus infection in mice. Hepatology. doi:10.1002/hep.28850
• David Winogradoff and Haiqing Zhao and Yamini Dalal and Garegin A. Papoian. (2015). Shearing of the CENP-A dimerization interface mediates plasticity in the octameric centromeric nucleosome. Scientific Reports. doi:10.1038/srep17038
• Dong-Ling Deng and J. H. Pixley and Xiaopeng Li and S. Das Sarma. (2015). Exponential orthogonality catastrophe in single-particle and many-body localized systems. Physical Review B. doi:10.1103/PhysRevB.92.220201
• E. Polisensky and M. Ricotti. (2015). Fingerprints of the initial conditions on the density profiles of cold and warm dark matter haloes. Monthly Notices of the Royal Astronomical Society. doi:10.1093/mnras/stv736
• K. W. Mahmud, R. Wilson, M. Foss-Feig, M. Hafezi. (2015). Driven-dissipative bosons in open boundary and inhomogeneous cavity arrays. KITP, Oct 2015, UC Santa Barbara, CA. doi:
• Kai He and Feng Lin and Yizhou Zhu and Xiqian Yu and Jing Li and Ruoqian Lin and Dennis Nordlund and Tsu-Chien Weng and Ryan M. Richards and Xiao-Qing Yang and Marca M. Doeff and Eric A. Stach and Yifei Mo and Huolin L. Xin and Dong Su. (2015). Sodiation Kinetics of Metal Oxide Conversion Electrodes: A Comparative Study with Lithiation. Nano Letters. doi:10.1021/acs.nanolett.5b01709
• Ligang Chen and Xin-Zhong Liang and David DeWitt and Arthur N. Samel and Julian X. L. Wang. (2015). Simulation of seasonal US precipitation and temperature by the nested CWRF-ECHAM system. Climate Dynamics. doi:10.1007/s00382-015-2619-9
• R.-L. Ballouz and D.C. Richardson and P. Michel and S.R. Schwartz and Y. Yu. (2015). Numerical simulations of collisional disruption of rotating gravitational aggregates: Dependence on material properties. Planetary and Space Science. doi:10.1016/j.pss.2014.06.003
• Scott Lawrence and Justin G. Tervala and Paulo F. Bedaque and M. Coleman Miller. (2015). AN UPPER BOUND ON NEUTRON STAR MASSES FROM MODELS OF SHORT GAMMA-RAY BURSTS. The Astrophysical Journal. doi:10.1088/0004-637X/808/2/186
• Shuyan Liu and Julian X. L. Wang and Xin-Zhong Liang and Vernon Morris. (2015). A hybrid approach to improving the skills of seasonal climate outlook at the regional scale. Climate Dynamics. doi:10.1007/s00382-015-2594-1
• Sriram Ganeshan and J.hspace0.167emH. Pixley and S. Das Sarma. (2015). Nearest Neighbor Tight Binding Models with an Exact Mobility Edge in One Dimension. Physical Review Letters. doi:10.1103/PhysRevLett.114.146601
• Xiaopeng Li and Sriram Ganeshan and J.hspace0.167emH. Pixley and S. Das Sarma. (2015). Many-Body Localization and Quantum Nonergodicity in a Model with a Single-Particle Mobility Edge. Physical Review Letters. doi:10.1103/PhysRevLett.115.186601
• Xinbo Yang and Mingming Gao and Guobing Chen and Brian G. Pierce and Jinghua Lu and Nan-ping Weng and Roy A. Mariuzza. (2015). Structural Basis for Clonal Diversity of the Public T Cell Response to a Dominant Human Cytomegalovirus Epitope. Journal of Biological Chemistry. doi:10.1074/jbc.M115.691311
• Xingfeng He and Yifei Mo. (2015). Accelerated materials design of Na_0.5Bi_0.5TiO₃ oxygen ionic conductors based on first principles calculations. Physical Chemistry Chemical Physics. doi:10.1039/C5CP02181B
• Yizhou Zhu and Xingfeng He and Yifei Mo. (2015). Origin of Outstanding Stability in the Lithium Solid Electrolyte Materials: Insights from Thermodynamic Analyses Based on First-Principles Calculations. ACS Applied Materials &amp$mathsemicolon$ Interfaces. doi:10.1021/acsami.5b07517
• Feng Zhang and Xin-Zhong Liang and Qingcun Zeng and Yu Gu and Shenjian Su. (2013). Cloud-Aerosol-Radiation (CAR) ensemble modeling system: Overall accuracy and efficiency. Advances in Atmospheric Sciences. doi:10.1007/s00376-012-2171-z
• Longhua Hu and Garegin A. Papoian. (2013). Molecular Transport Modulates the Adaptive Response of Branched Actin Networks to an External Force. The Journal of Physical Chemistry B. doi:10.1021/jp405179e
• X.-Z. Liang and F. Zhang. (2013). The cloud-aerosol-radiation (CAR) ensemble modeling system. Atmospheric Chemistry and Physics. doi:10.5194/acp-13-8335-2013
• Davit A. Potoyan and Garegin A. Papoian. (2012). Regulation of the H4 tail binding and folding landscapes via Lys-16 acetylation. Proceedings of the National Academy of Sciences. doi:10.1073/pnas.1201805109
• Davit A. Potoyan and Pavel I. Zhuravlev and Garegin A. Papoian. (2012). Computing Free Energy of a Large-Scale Allosteric Transition in Adenylate Kinase Using All Atom Explicit Solvent Simulations. The Journal of Physical Chemistry B. doi:10.1021/jp209980b
• F Zhang, S Su, X Liang. (2012). Dominant role of geometric association on cloud radiative forcing. Abstract A51C-0061 presented at 2012 Fall Meeting, AGU, San Francisco, Calif., 3-7 Dec. doi:
• Feng Zhang, X. Liang, S. Su, and X. Kang. (2012). Cloud-Aerosol-Radiation Ensemble Modeling System (CAR): One Application on Aerosol Climate Effects. 2012 DOE ASR meeting. doi:
• F Zhang, X Liang, S Su. (2011). Cloud-Aerosol-Radiation Ensemble Modeling System. Abstract A21H-05 presented at 2011 Fall Meeting, AGU, San Francisco, Calif., 5-9 Dec. doi:
• Hua Chen and Da-Lin Zhang and James Carton and Robert Atlas. (2011). On the Rapid Intensification of Hurricane Wilma (2005). Part I: Model Prediction and Structural Changes. Weather and Forecasting. doi:10.1175/WAF-D-11-00001.1

Institute for Bioscience and Biotechnology Research

Click on authors to see additional publications from the same research group.

• Yin, Rui and Pierce, Brian G.. (2023). Evaluation of AlphaFold antibody–antigen modeling with implications for improving predictive accuracy. Protein Science. doi:10.1002/pro.4865
• Ragul Gowthaman and Brian G Pierce. (2018). TCRmodel: high resolution modeling of T cell receptors from sequence. Nucleic Acids Research. doi:10.1093/nar/gky432
• Zhen-Yong Keck and Yong Wang and Patrick Lau and Garry Lund and Sneha Rangarajan and Catherine Fauvelle and Grant C. Liao and Frederick W. Holtsberg and Kelly L. Warfield and M. Javad Aman and Brian G. Pierce and Thomas R. Fuerst and Justin R. Bailey and Thomas F. Baumert and Roy A. Mariuzza and Norman M. Kneteman and Steven K.H. Foung. (2016). Affinity maturation of a broadly neutralizing human monoclonal antibody that prevents acute hepatitis C virus infection in mice. Hepatology. doi:10.1002/hep.28850
• Xinbo Yang and Mingming Gao and Guobing Chen and Brian G. Pierce and Jinghua Lu and Nan-ping Weng and Roy A. Mariuzza. (2015). Structural Basis for Clonal Diversity of the Public T Cell Response to a Dominant Human Cytomegalovirus Epitope. Journal of Biological Chemistry. doi:10.1074/jbc.M115.691311

School of Engineering

Click on authors to see additional publications from the same research group.

• Kim, Mijin and McCann, James J. and Fortner, Jacob and Randall, Ewelina and Chen, Chen and Chen, Yu and Yaari, Zvi and Wang, YuHuang and Koder, Ronald L. and Heller, Daniel A.. (2024). Quantum Defect Sensitization via Phase-Changing Supercharged Antibody Fragments. Journal of the American Chemical Society. doi:10.1021/jacs.4c00149
• Lee, Seungyeop and Fortner, Jacob and Wang, YuHuang. (2024). Defect Pairs in Boron Nitrides That Exhibit Strong Electronic Transitions in the Infrared. The Journal of Physical Chemistry C. doi:10.1021/acs.jpcc.4c01586
• Messou, Joseph C. E. and Yeung, Kelly and Sudbrook, Eric and Zhang, Jackie and Toursavadkohi, Shahab and Ucuzian, Areck A. and Tubaldi, Eleonora. (2024). Investigating the role of thrombosis and false lumen orbital orientation in the hemodynamics of Type B aortic dissection. Scientific Reports. doi:10.1038/s41598-024-78348-9
• Qu, Haoran and Han, Yulun and Fortner, Jacob and Wu, Xiaojian and Kilina, Svetlana and Kilin, Dmitri and Tretiak, Sergei and Wang, YuHuang. (2024). [2 + 2] Cycloaddition Produces Divalent Organic Color-Centers with Reduced Heterogeneity in Single-Walled Carbon Nanotubes. Journal of the American Chemical Society. doi:10.1021/jacs.4c08105
• Ali Berk Kahraman and Johan Larsson. (2022). Adaptive Determination of the Optimal Exchange Location in Wall-Modeled Large-Eddy Simulation. AIAA Journal. doi:10.2514/1.J061347
• Ananya Banik and Yunsheng Liu and Saneyuki Ohno and Yannik Rudel and Alberto Jim'enez-Solano and Andrei Gloskovskii and Nella M. Vargas-Barbosa and Yifei Mo and Wolfgang G. Zeier. (2022). Can Substitutions Affect the Oxidative Stability of Lithium Argyrodite Solid Electrolytes?. ACS Applied Energy Materials. doi:10.1021/acsaem.1c03599
• Benjamin Eller and Jacob Fortner and Jacek Klos and YuHuang Wang and Charles W Clark. (2022). Can armchair nanotubes host organic color centers?. Journal of Physics: Condensed Matter. doi:10.1088/1361-648X/ac8f7e
• Bo Chen and Ulrich H. Leiste and Qiongyu Chen and William L. Fourney and Teng Li. (2022). Correlation Between Rockwell and Brinell Hardness Measurements. Journal of Applied Mechanics. doi:10.1115/1.4054094
• Haoran Qu and Xiaojian Wu and Jacob Fortner and Mijin Kim and Peng Wang and YuHuang Wang. (2022). Reconfiguring Organic Color Centers on the sp² Carbon Lattice of Single-Walled Carbon Nanotubes. ACS Nano. doi:10.1021/acsnano.1c07669
• Ji Qian and Qiongyu Chen and Min Hong and Weiqi Xie and Shuangshuang Jing and Yinhua Bao and Gang Chen and Zhenqian Pang and Liangbing Hu and Teng Li. (2022). Toward stretchable batteries: 3D-printed deformable electrodes and separator enabled by nanocellulose. Materials Today. doi:10.1016/j.mattod.2022.02.015
• Matthew S. Radue and Yifei Mo and R.E. Butera. (2022). Dopant precursor adsorption into single-dimer windows: Towards guided self-assembly of dopant arrays on Si(100). Chemical Physics Letters. doi:10.1016/j.cplett.2021.139258
• Mingjin Cui and Chunpeng Yang and Sooyeon Hwang and Menghao Yang and Sean Overa and Qi Dong and Yonggang Yao and Alexandra H. Brozena and David A. Cullen and Miaofang Chi and Thomas F. Blum and David Morris and Zou Finfrock and Xizheng Wang and Peng Zhang and Vitaliy G. Goncharov and Xiaofeng Guo and Jian Luo and Yifei Mo and Feng Jiao and Liangbing Hu. (2022). Multi-principal elemental intermetallic nanoparticles synthesized via a disorder-to-order transition. Science Advances. doi:10.1126/sciadv.abm4322
• Peng Wang and Jacob Fortner and Hongbin Luo and Jacek Klos and Xiaojian Wu and Haoran Qu and Fu Chen and Yue Li and YuHuang Wang. (2022). Quantum Defects: What Pairs with the Aryl Group When Bonding to the sp² Carbon Lattice of Single-Wall Carbon Nanotubes?. Journal of the American Chemical Society. doi:10.1021/jacs.2c03846
• Zhenyu Tang and Rohith Aralikatti and Anton Jeran Ratnarajah and Dinesh Manocha. (2022). GWA: A Large High-Quality Acoustic Dataset for Audio Processing. In ACM SIGGRAPH 2022 Conference Proceedings (SIGGRAPH 22). Association for Computing Machinery, New York, NY, USA, Article 36, 1–9. doi:10.1145/3528233.3530731
• Abishek Gopal and Pedro S. Volpiani and Shashank Yellapantula and Johan Larsson. (2021). Computational investigation of real fluid effects in cryogenic laminar premixed CH4-O2 flames. The Journal of Supercritical Fluids. doi:10.1016/j.supflu.2020.105045
• Adelaide M. Nolan and Darshana Wickramaratne and Noam Bernstein and Yifei Mo and Michelle D. Johannes. (2021). Li⁺ Diffusion in Amorphous and Crystalline Al₂O₃ for Battery Electrode Coatings. Chemistry of Materials. doi:10.1021/acs.chemmater.1c02239
• Adelaide M. Nolan and Eric D. Wachsman and Yifei Mo. (2021). Computation-guided discovery of coating materials to stabilize the interface between lithium garnet solid electrolyte and high-energy cathodes for all-solid-state lithium batteries. Energy Storage Materials. doi:10.1016/j.ensm.2021.06.027
• Aditya N. Sangli and Amir Riaz and David I. Bigio. (2021). Effect of inertia on capillary-driven breakup of drops surrounded by another fluid. Physics of Fluids. doi:10.1063/5.0065754
• Ahmed, Mohamed Mohsen and Arnaud Trouvé. (2021). Simulations of the unsteady response of biomass burning particles exposed to oscillatory heat flux conditions. 13th Symposium of the International Association for Fire Safety Science (IAFSS). doi:
• Arias, Paulo, James Baeder, Yong Su Jung. (2021). Aeroacoustic Analysis of Asymmetric Lift-Offset Helicopter in Forward Flight. 77th Annual Forum Proceedings of the Vertical Flight Society, Virtual, 2021. doi:
• Bo Chen and Ulrich H. Leiste and William L. Fourney and Yu Liu and Qiongyu Chen and Teng Li. (2021). Hardened wood as a renewable alternative to steel and plastic. Matter. doi:10.1016/j.matt.2021.09.020
• Bumseok Lee and James D. Baeder. (2021). Prediction and validation of laminar-turbulent transition using SA-γ transition model. AIAA 2021-1532. AIAA Scitech 2021 Forum. January 2021. doi:10.2514/6.2021-1532
• Bumseok Lee and James D. Baeder. (2021). The effect of time marching on the wake structure breakdown in a hovering rotor simulation. AIAA 2021-0736. AIAA Scitech 2021 Forum. January 2021. doi:10.2514/6.2021-0736
• Chakraborty, Samarpan and Balakumar Balachandran. (2021). Wave Propagation Studies in Numerical Wave Tanks with Weakly Compressible Smoothed Particle Hydrodynamics. J. Mar. Sci. Eng. 2021, 9(2), 233. doi:
• Dedi Wang and Pratyush Tiwary. (2021). State predictive information bottleneck. The Journal of Chemical Physics. doi:10.1063/5.0038198
• Eller, Benjamin, Jacek Klos, YuHuang Wang, and Charles Clark. (2021). Finite (6,6) Single-Walled Carbon Nanotubes with Organic Surface Defects as Candidate Single Photon Emitters. APS DAMOP Annual Meeting 2021, May 31-June 4, 2021. doi:
• Eller, Benjamin, Jacek Klos, YuHuang Wang, and Charles Clark. (2021). Finite (6,6) Single-Walled Carbon Nanotubes with Organic Surface Defects as Candidate Single Photon Emitters. NT21: International Conference on the Science and Application of Nanotubes and Low-Dimensional Materials, June 6-11, 2021. Rice University, Houston, Texas, United States. doi:
• Gaohong Yin and Barton A. Forman and Jing Wang. (2021). Assimilation of Ground-Based GPS Observations of Vertical Displacement into a Land Surface Model to Improve Terrestrial Water Storage Estimates. Water Resources Research. doi:10.1029/2020WR028763
• Harnoor Singh Sachar and Bhargav Sai Chava and Turash Haque Pial and Siddhartha Das. (2021). Hydrogen Bonding and Its Effect on the Orientational Dynamics of Water Molecules inside Polyelectrolyte Brush-Induced Soft and Active Nanoconfinement. Macromolecules. doi:10.1021/acs.macromol.0c02813
• He, Chengjian, Chris Ware, Seungjoon Yang, Jeewoong Kim, James Baeder, and Yong Su Jung. (2021). eVTOL Rotor Noise Study Using Comprehensive Modeling Combined with Acoustic Analysis. 77th Annual Forum Proceedings of the Vertical Flight Society, Virtual, 2021. doi:
• Jacob Olondo Kuba and Yalun Yu and Jeffery B. Klauda. (2021). Estimating localization of various statins within a POPC bilayer. Chemistry and Physics of Lipids. doi:10.1016/j.chemphyslip.2021.105074
• Jan-Arun Faust and Yong Su Jung and James Baeder and Andr'e Bauknecht and Jürgen Rauleder. (2021). Interactional Aerodynamic Analysis of an Asymmetric Lift-Offset Compound Helicopter in Forward Flight. Journal of the American Helicopter Society. doi:10.4050/JAHS.66.032011
• Jung, Yong Su, James Baeder, and Chengjian He. (2021). Investigation of Empirical Rotor Broadband Prediction using CFD Boundary Layer Parameters Extraction. 77th Annual Forum Proceedings of the Vertical Flight Society, Virtual, 2021. doi:
• Lee, Bumseok. (2021). Development of a Laminar-Turbulent Transition Model and Blended Time-Marching Schemes for Rotorcraft CFD Application. Doctoral Dissertation, Department of Aerospace Engineering, University of Maryland, 2021. doi:10.13016/5veh-rxg7
• Lianping Wu and Tian Guo and Teng Li. (2021). Machine learning-accelerated prediction of overpotential of oxygen evolution reaction of single-atom catalysts. iScience. doi:10.1016/j.isci.2021.102398
• Lumba, Ravi and Anubhav Datta. (2021). Scalable Mesh Partitioning for Large-Scale 3D Finite Element Multibody Structures. IAA Scitech 2021 Forum, January 11-15 & 19-21, 2021. doi:
• Matthew S. Radue and Sungha Baek and Azadeh Farzaneh and K. J. Dwyer and Quinn Campbell and Andrew D. Baczewski and Ezra Bussmann and George T. Wang and Yifei Mo and Shashank Misra and R. E. Butera. (2021). AlCl₃-Dosed Si(100)-2 exttimes 1: Adsorbates, Chlorinated Al Chains, and Incorporated Al. The Journal of Physical Chemistry C. doi:10.1021/acs.jpcc.1c00691
• Md Shafiqul Islam and Shuo Wang and Adelaide M. Nolan and Yifei Mo. (2021). First-Principles Computational Design and Discovery of Novel Double-Perovskite Proton Conductors. Chemistry of Materials. doi:10.1021/acs.chemmater.1c02432
• Menghao Yang and Yifei Mo. (2021). Interfacial Defect of Lithium Metal in Solid-State Batteries. Angewandte Chemie International Edition. doi:10.1002/anie.202108144
• Menghao Yang and Yunsheng Liu and Adelaide M. Nolan and Yifei Mo. (2021). Interfacial Atomistic Mechanisms of Lithium Metal Stripping and Plating in Solid-State Batteries. Advanced Materials. doi:10.1002/adma.202008081
• Mo, Yifei. (2021). Computation Accelerated Design of Materials and Interfaces for All-Solid-State Li-ion Batteries. TRI seminar, Massachusetts Institute of Technology (04/2021) (Invited). doi:
• Mo, Yifei. (2021). Computation Accelerated Design of Materials and Interfaces for Solid-State Batteries. Phonon Science Seminar, SLAC (virtual) (05/2021) (Invited). doi:
• Mo, Yifei. (2021). Data-Driven Discovery of New Materials for Solid-State Batteries. 5th Forum of Materials Genome Engineering, Zhengzhou, China (virtual) (12/2021) (Invited). doi:
• Mo, Yifei. (2021). Interfacial Failure of Lithium Metal in Solid-State Batteries : Insight from Large-Scale Atomistic Modeling. Beyond Lithium Ion XIII, Argonne National Laboratory (virtual) (06/2021) (Invited). doi:
• Mo, Yifei. (2021). Interfacial Failure of Lithium Metal in Solid-State Batteries : Insight from Large-Scale Atomistic Modeling. International Battery Materials Association(IBA) 2021 Annual meeting in Xiamen, China (virtual) (10/2021) (Invited). doi:
• Mo, Yifei. (2021). Interfacial Failure of Lithium Metal in Solid-State Batteries : Insight from Large-Scale Atomistic Modeling. World Conference on Solid Electrolytes for Advanced Applications (virtual) (10/2021) (Invited). doi:
• Mo, Yifei. (2021). Understanding Interfacial Atomistic Mechanisms of Lithium Metal Stripping and Plating in Solid-State Batteries : Insights from Atomistic Modeling. ACS Spring meeting 2021 (04/2021) (Invited). doi:
• Mo, Yifei. (2021). Understanding Interfacial Atomistic Mechanisms of Lithium Metal Stripping and Plating in Solid-State Batteries : Insights from Atomistic Modeling. MRS Spring meeting 2021, Seattle, WA (virtual) (04/2021) (Invited). doi:
• Mohamed M. Ahmed and Arnaud Trouv'e. (2021). Large eddy simulation of the unstable flame structure and gas-to-liquid thermal feedback in a medium-scale methanol pool fire. Combustion and Flame. doi:10.1016/j.combustflame.2020.10.055
• Mohamed Mohsen Ahmed and Arnaud Trouv'e. (2021). Simulations of the unsteady response of biomass burning particles exposed to oscillatory heat flux conditions. Fire Safety Journal. doi:10.1016/j.firesaf.2020.103059
• Potsdam, Mark, Bumseok Lee, Yong Su Jung, and James Baeder. (2021). Hub Flow Near-Wake Validation using CREATETM-AV Helios and UMD Mercury Framework. 77th Annual Forum Proceedings of the Vertical Flight Society, Virtual, 2021. doi:
• Preethi Ravula and Gizem Acar and Balakumar Balachandran. (2021). Discrete element method-based studies on dynamic interactions of a lugged wheel with granular media. Journal of Terramechanics. doi:10.1016/j.jterra.2021.01.002
• Robert J. Allsopp and Jeffery B. Klauda. (2021). Impact of PIP2 Lipids, Force Field Parameters, and Mutational Analysis on the Binding of the Osh4's α₆-α₇ Domain. The Journal of Physical Chemistry B. doi:10.1021/acs.jpcb.0c10393
• Rui Xu and Van Minh Le and Alexis Marchand and Salman Verma and Thomas Rogaume and Franck Richard and Jocelyn Luche and Arnaud Trouv'e. (2021). Simulations of the coupling between combustion and radiation in a turbulent line fire using an unsteady flamelet model. Fire Safety Journal. doi:10.1016/j.firesaf.2020.103101
• Sai Ankit Etha and Parth Rakesh Desai and Harnoor Singh Sachar and Siddhartha Das. (2021). Wetting Dynamics on Solvophilic, Soft, Porous, and Responsive Surfaces. Macromolecules. doi:10.1021/acs.macromol.0c02234
• Seyed Mohammad Sajadi and L'ivia V'as'arhelyi and Reza Mousavi and Amir Hossein Rahmati and Zolt'an K'onya and 'Akos Kukovecz and Taib Arif and Tobin Filleter and Robert Vajtai and Peter Boul and Zhenqian Pang and Teng Li and Chandra Sekhar Tiwary and Muhammad M. Rahman and Pulickel M. Ajayan. (2021). Damage-tolerant 3D-printed ceramics via conformal coating. Science Advances. doi:10.1126/sciadv.abc5028
• Shumin Zhang and Feipeng Zhao and Shuo Wang and Jianwen Liang and Jian Wang and Changhong Wang and Hao Zhang and Keegan Adair and Weihan Li and Minsi Li and Hui Duan and Yang Zhao and Ruizhi Yu and Ruying Li and Huan Huang and Li Zhang and Shangqian Zhao and Shigang Lu and Tsun-Kong Sham and Yifei Mo and Xueliang Sun. (2021). Advanced High-Voltage All-Solid-State Li-Ion Batteries Enabled by a Dual-Halogen Solid Electrolyte. Advanced Energy Materials. doi:10.1002/aenm.202100836
• Siavash Toosi and Johan Larsson. (2021). The Germano identity error and the residual of the LES governing equation. Journal of Computational Physics. doi:10.1016/j.jcp.2021.110544
• Sun-Ting Tsai and Zachary Smith and Pratyush Tiwary. (2021). SGOOP-d: Estimating Kinetic Distances and Reaction Coordinate Dimensionality for Rare Event Systems from Biased/Unbiased Simulations. Journal of Chemical Theory and Computation. doi:10.1021/acs.jctc.1c00431
• Tangyuan Li and Yonggang Yao and Zhennan Huang and Pengfei Xie and Zhenyu Liu and Menghao Yang and Jinlong Gao and Kaizhu Zeng and Alexandra H. Brozena and Glenn Pastel and Miaolun Jiao and Qi Dong and Jiaqi Dai and Shuke Li and Han Zong and Miaofang Chi and Jian Luo and Yifei Mo and Guofeng Wang and Chao Wang and Reza Shahbazian-Yassar and Liangbing Hu. (2021). Denary oxide nanoparticles as highly stable catalysts for methane combustion. Nature Catalysis. doi:10.1038/s41929-020-00554-1
• Turash Haque Pial and Harnoor Singh Sachar and Parth Rakesh Desai and Siddhartha Das. (2021). Overscreening, Co-Ion-Dominated Electroosmosis, and Electric Field Strength Mediated Flow Reversal in Polyelectrolyte Brush Functionalized Nanochannels. ACS Nano. doi:10.1021/acsnano.0c09248
• Upamanyu Ray and Zhenqian Pang and Teng Li. (2021). Mechanics of cellulose nanopaper using a scalable coarse-grained modeling scheme. Cellulose. doi:10.1007/s10570-021-03740-x
• Vipin Agarwal and Rui Wang and Balakumar Balachandran. (2021). Data driven forecasting of aperiodic motions of non-autonomous systems. Chaos: An Interdisciplinary Journal of Nonlinear Science. doi:10.1063/5.0045004
• Wentao Gan and Lianping Wu and Yaoxing Wang and He Gao and Likun Gao and Shaoliang Xiao and Jiuqing Liu and Yanjun Xie and Teng Li and Jian Li. (2021). Carbonized Wood Decorated with Cobalt-Nickel Binary Nanoparticles as a Low-Cost and Efficient Electrode for Water Splitting. Advanced Functional Materials. doi:10.1002/adfm.202010951
• Xu, Rui, Van Minh Le, Alexis Marchand, Salman Verma, Thomas Rogaume, Franck Richard, Jocelyn Luche, Arnaud Trouvé. (2021). Simulations of the coupling between combustion and radiation in a turbulent line fire using an unsteady flamelet model. 13th Symposium of the International Association for Fire Safety Science (IAFSS). doi:
• Yiding Yuan and Yalun Yu and Jeffery B. Klauda. (2021). Simulations of Diabetic and Non-Diabetic Peripheral Nerve Myelin Lipid Bilayers. The Journal of Physical Chemistry B. doi:10.1021/acs.jpcb.1c01621
• Zachary Smith and Pratyush Tiwary. (2021). Making High-Dimensional Molecular Distribution Functions Tractable through Belief Propagation on Factor Graphs. The Journal of Physical Chemistry B. doi:10.1021/acs.jpcb.1c05717
• Zhenqian Pang and Teng Li. (2021). Mechanics and strain engineering of bulk and monolayer Bi2O2Se. Journal of the Mechanics and Physics of Solids. doi:10.1016/j.jmps.2021.104626
• Abhilash Sahoo and Silvina Matysiak. (2020). Microscopic Picture of Calcium-Assisted Lipid Demixing and Membrane Remodeling Using Multiscale Simulations. The Journal of Physical Chemistry B. doi:10.1021/acs.jpcb.0c03067
• Ahmad, J. and B. A. Forman. (2020). Diagnostic analysis of a data assimilation framework for improving snow mass estimation in complex terrain. International Geoscience and Remote Sensing Symposium (IGARSS) Annual Meeting, Waikoloa, Hawaii, United States, 2020. doi:
• Ahmad, J. and B. A. Forman. (2020). Utilizing ensemble-based data assimilation and the NASA Land Information System to improve soil moisture estimation across high mountain Asia. American Geophysical Union Annual Meeting, San Francisco, California, United States, 2020. doi:
• Ana West and Valeria Zoni and Walter E. Teague and Alison N. Leonard and Stefano Vanni and Klaus Gawrisch and Stephanie Tristram-Nagle and Jonathan N. Sachs and Jeffery B. Klauda. (2020). How Do Ethanolamine Plasmalogens Contribute to Order and Structure of Neurological Membranes?. The Journal of Physical Chemistry B. doi:10.1021/acs.jpcb.9b08850
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• Yin, G., B. A. Forman, Loomis, B. D., and S. B. Luthcke. (2018). Estimating Snow Water Equivalent from a Combination of GPS and GRACE Observations over the Western United States. 75th Eastern Snow Conference, College Park, Maryland, United States, 2018. doi:
• Yin, G., B. A. Forman, Loomis, B. D., and S. B. Luthcke. (2018). On the use of GPS to estimate terrestrial water storage variations in the Western United States: A comparison of seasonal hydrological loading inferred from GPS, GRACE, and the NASA Catchment Land Surface Model. American Geophysical Union Annual Meeting, Washington, D.C., United States, 2018. doi:
• Yong Su Jung and James D. Baeder. (2018). RetSA with Crossflow Transition Model using Hamiltonian-Strand Approach. 2018 AIAA SciTech Forum, Orlando, Florida, January 2018. doi:
• Yong Wang and Omar Valsson and Pratyush Tiwary and Michele Parrinello and Kresten Lindorff-Larsen. (2018). Frequency adaptive metadynamics for the calculation of rare-event kinetics. The Journal of Chemical Physics. doi:10.1063/1.5024679
• Yoon, Y., S. Kumar, Y. Kwon, B. A. Forman, and B. Zaitchik. (2018). Assessing the uncertainty in the terrestrial water budgets over High Mountain Asia. American Geophysical Union Annual Meeting, Washington, D.C., United States, 2018. doi:
• Yuan Xue and Barton A. Forman and Rolf H. Reichle. (2018). Estimating Snow Mass in North America Through Assimilation of Advanced Microwave Scanning Radiometer Brightness Temperature Observations Using the Catchment Land Surface Model and Support Vector Machines. Water Resources Research. doi:10.1029/2017wr022219
• Zachary Smith and Debabrata Pramanik and Sun-Ting Tsai and Pratyush Tiwary. (2018). Multi-dimensional spectral gap optimization of order parameters (SGOOP) through conditional probability factorization. The Journal of Chemical Physics. doi:10.1063/1.5064856
• Andrei A. Novikov and Anton P. Semenov and Viviana Monje-Galvan and Vladimir N. Kuryakov and Jeffery B. Klauda and Mikhail A. Anisimov. (2017). Dual Action of Hydrotropes at the Water/Oil Interface. The Journal of Physical Chemistry C. doi:10.1021/acs.jpcc.7b05156
• Carlos Castillo and Soham De and Xintong Han and Bharat Singh and Abhay Kumar Yadav and Tom Goldstein. (2017). Son of Zorn's lemma: Targeted style transfer using instance-aware semantic segmentation. 2017 IEEE International Conference on Acoustics, Speech and Signal Processing (ICASSP), 2017, pp. 1348-1352. doi:10.1109/ICASSP.2017.7952376
• Cong Zhang and M'elanie Rochoux and Wei Tang and Michael Gollner and Jean-Baptiste Filippi and Arnaud Trouv'e. (2017). Evaluation of a data-driven wildland fire spread forecast model with spatially-distributed parameter estimation in simulations of the FireFlux I field-scale experiment. Fire Safety Journal. doi:10.1016/j.firesaf.2017.03.057
• Eric Link and Taylor Myers and Arnaud Trouv'e and Andre Marshall. (2017). Measurements of spray-plume interactions for model validation. Fire Safety Journal. doi:10.1016/j.firesaf.2017.04.024
• Eric Wang and Jeffery B. Klauda. (2017). Examination of Mixtures Containing Sphingomyelin and Cholesterol by Molecular Dynamics Simulations. The Journal of Physical Chemistry B. doi:10.1021/acs.jpcb.7b01832
• Eric Wang and Jeffery B. Klauda. (2017). Molecular Dynamics Simulations of Ceramide and Ceramide-Phosphatidylcholine Bilayers. The Journal of Physical Chemistry B. doi:10.1021/acs.jpcb.7b08967
• Escobar, D., Sinotte, T., Oas, P., Lee, B., Mills, B., Jude, D., and Craig, W.. (2017). Elysium: 24 Hour Hovering Machine Conceptual Design. 24th Annual AHS International Student Design Competition, 2017. doi:
• Fenggong Wang and Roman Tsyshevsky and Anton Zverev and Anatoly Mitrofanov and Maija M. Kuklja. (2017). Can a Photosensitive Oxide Catalyze Decomposition of Energetic Materials?. The Journal of Physical Chemistry C. doi:10.1021/acs.jpcc.6b10127
• Forman, B. A., S. Kumar, J. Le Moigne, and S. Nag. (2017). Towards the development of a global, satellite-based, terrestrial snow mission planning tool. 74th Eastern Snow Conference, Ottawa, Ontario, Canada, 2017. doi:
• Gregory S. Custer and Payel Das and Silvina Matysiak. (2017). Interplay between Conformational Heterogeneity and Hydration in the Folding Landscape of a Designed Three-Helix Bundle. The Journal of Physical Chemistry B. doi:10.1021/acs.jpcb.6b12286
• Hongcheng Xu and Silvina Matysiak. (2017). Effect of pH on chitosan hydrogel polymer network structure. Chemical Communications. doi:10.1039/C7CC01826F
• Indrani Bera and Jeffery B. Klauda. (2017). Molecular Simulations of Mixed Lipid Bilayers with Sphingomyelin, Glycerophospholipids, and Cholesterol. The Journal of Physical Chemistry B. doi:10.1021/acs.jpcb.7b00359
• J.P. White and E.D. Link and A. Trouv'e and P.B. Sunderland and A.W. Marshall. (2017). A general calorimetry framework for measurement of combustion efficiency in a suppressed turbulent line fire. Fire Safety Journal. doi:10.1016/j.firesaf.2017.06.009
• J.P. White and S. Vilfayeau and A.W. Marshall and A. Trouv'e and R.J. McDermott. (2017). Modeling flame extinction and reignition in large eddy simulations with fast chemistry. Fire Safety Journal. doi:10.1016/j.firesaf.2017.04.023
• Jain, Nishan. (2017). Assessment of Turbulence Length Scales in Hybrid RANS-LES Methods. Doctoral Dissertation, University of Maryland, College Park. doi:10.13016/M2RJ48W6C
• James P. White and Salman Verma and Elizabeth Keller and Ailing Hao and Arnaud Trouv'e and Andr'e W. Marshall. (2017). Water mist suppression of a turbulent line fire. Fire Safety Journal. doi:10.1016/j.firesaf.2017.03.014
• Jing Tao and Rolf H. Reichle and Randal D. Koster and Barton A. Forman and Yuan Xue. (2017). Evaluation and Enhancement of Permafrost Modeling With the NASA Catchment Land Surface Model. Journal of Advances in Modeling Earth Systems. doi:10.1002/2017MS001019
• Jingheng Wang and Gregory Custer and Dorothy Beckett and Silvina Matysiak. (2017). Long Distance Modulation of Disorder-to-Order Transitions in Protein Allostery. Biochemistry. doi:10.1021/acs.biochem.7b00496
• Jung, Y. S., Jude, D., Govindarajan, B., and Baeder, J.. (2017). Line-Based Unstructured/Strucutred Heterogenous CPU/GPU Framework for Complex Aerodynamic Flows. Proceedings of the 73rd Annual American Helicopter Society, Fort Worth, TX, May 9-11, 2017. doi:
• Jung, Y. S., Jude, D., Govindarajan, B., and Baeder, J.. (2017). Wind Turbine Simulations Using CPU/GPU Heterogeneous Computing. 2017 NAWEA Symposium, Ames, Iowa, September 26-29, 2017. doi:
• Kun (Kelvin) Fu and Yunhui Gong and Boyang Liu and Yizhou Zhu and Shaomao Xu and Yonggang Yao and Wei Luo and Chengwei Wang and Steven D. Lacey and Jiaqi Dai and Yanan Chen and Yifei Mo and Eric Wachsman and Liangbing Hu. (2017). Toward garnet electrolyte-based Li metal batteries: An ultrathin, highly effective, artificial solid-state electrolyte/metallic Li interface. Science Advances. doi:10.1126/sciadv.1601659
• Lena Trotochaud and Roman Tsyshevsky and Scott Holdren and Kenan Fears and Ashley R. Head and Yi Yu and Osman Karsliouglu and Sven Pletincx and Bryan Eichhorn and Jeffrey Owrutsky and Jeffrey Long and Michael Zachariah and Maija M. Kuklja and Hendrik Bluhm. (2017). Spectroscopic and Computational Investigation of Room-Temperature Decomposition of a Chemical Warfare Agent Simulant on Polycrystalline Cupric Oxide. Chemistry of Materials. doi:10.1021/acs.chemmater.7b02489
• Lu Liu and Mohamad Hejazi and Hongyi Li and Barton Forman and Xiao Zhang. (2017). Vulnerability of US thermoelectric power generation to climate change when incorporating state-level environmental regulations. Nature Energy. doi:10.1038/nenergy.2017.109
• Maija M. Kuklja, Onise Sharia, Roman Tsyshevsky. (2017). Manifestations of two-dimensional electron gas in molecular crystals. Surf. Sci. 657 (2017) pp20-27. doi:
• Pratyush Tiwary. (2017). Molecular Determinants and Bottlenecks in the Dissociation Dynamics of Biotin-Streptavidin. The Journal of Physical Chemistry B. doi:10.1021/acs.jpcb.7b09510
• Qiang Bai and Yizhou Zhu and Xingfeng He and Eric Wachsman and Yifei Mo. (2017). First principles hybrid functional study of small polarons in doped SrCeO3 perovskite: towards computation design of materials with tailored polaron. Ionics. doi:10.1007/s11581-017-2268-6
• Ryan, E. , L. Brucker, and B. A. Forman. (2017). Sensitivity of Advanced Microwave Scanning Radiometer (AMSR-E) based snow water equivalent (SWE) retrievals to rain-on- Snow (ROS) events in polar regions. 74th Eastern Snow Conference, Ottawa, Ontario, Canada, 2017. doi:
• S. Vilfayeau and T. Myers and A.W. Marshall and A. Trouv'e. (2017). Large eddy simulation of suppression of turbulent line fires by base-injected water mist. Proceedings of the Combustion Institute. doi:10.1016/j.proci.2016.06.058
• Sai J. Ganesan and Hongcheng Xu and Silvina Matysiak. (2017). Influence of Monovalent Cation Size on Nanodomain Formation in Anionic-Zwitterionic Mixed Bilayers. The Journal of Physical Chemistry B. doi:10.1021/acs.jpcb.6b10099
• Siavash Toosi and Johan Larsson. (2017). Anisotropic grid-adaptation in large eddy simulations. Computers &amp$mathsemicolon$ Fluids. doi:10.1016/j.compfluid.2017.07.006
• Viviana Monje-Galvan and Jeffery B. Klauda. (2017). Two sterols, two bilayers: insights on membrane structure from molecular dynamics. Molecular Simulation. doi:10.1080/08927022.2017.1353690
• Wei Luo and Yunhui Gong and Yizhou Zhu and Yiju Li and Yonggang Yao and Ying Zhang and Kun (Kelvin) Fu and Glenn Pastel and Chuan-Fu Lin and Yifei Mo and Eric D. Wachsman and Liangbing Hu. (2017). Reducing Interfacial Resistance between Garnet-Structured Solid-State Electrolyte and Li-Metal Anode by a Germanium Layer. Advanced Materials. doi:10.1002/adma.201606042
• Xiaohong Zhuang and Anna Ou and Jeffery B. Klauda. (2017). Simulations of simple linoleic acid-containing lipid membranes and models for the soybean plasma membranes. The Journal of Chemical Physics. doi:10.1063/1.4983655
• Xingfeng He and Yizhou Zhu and Yifei Mo. (2017). Origin of fast ion diffusion in super-ionic conductors. Nature Communications. doi:10.1038/ncomms15893
• Xue, Y. and B. A. Forman. (2017). Integration of satellite-based passive microwave brightness temperatures using support vector machines and an ensemble-based land data assimilation framework in order to improve snow estimation in forested regions. IEEE Proceedings of the International Geoscience and Remote Sensing Symposium, Fort Worth, Texas, United States. doi:
• Xue, Y. and B. A. Forman. (2017). Using a support vector machine and satellite-based passive microwave brightness temperature observations within a land data assimilation system to improve regional snow characterization. 74th Eastern Snow Conference, Ottawa, Ontario, Canada, 2017. doi:
• Yang, S.J., and Baeder, J.. (2017). Aerodynamic and Aeroacoustic Behaviors of Spanwise Wavy Trailing Edge Modified SNL 100 meter Blade. 2017 NAWEA Symposium, Ames, Iowa, September 26-29, 2017. doi:
• Yizhou Zhu and Xingfeng He and Yifei Mo. (2017). Strategies Based on Nitride Materials Chemistry to Stabilize Li Metal Anode. Advanced Science. doi:10.1002/advs.201600517
• Yuan Xue and Barton A. Forman. (2017). Atmospheric and Forest Decoupling of Passive Microwave Brightness Temperature Observations Over Snow-Covered Terrain in North America. IEEE Journal of Selected Topics in Applied Earth Observations and Remote Sensing. doi:10.1109/JSTARS.2016.2614158
• Zaigao Tan and Pouyan Khakbaz and Yingxi Chen and Jeremy Lombardo and Jong Moon Yoon and Jacqueline V. Shanks and Jeffery B. Klauda and Laura R. Jarboe. (2017). Engineering Escherichia coli membrane phospholipid head distribution improves tolerance and production of biorenewables. Metabolic Engineering. doi:10.1016/j.ymben.2017.08.006
• Andrew Trettel and Johan Larsson. (2016). Mean velocity scaling for compressible wall turbulence with heat transfer. Physics of Fluids. doi:10.1063/1.4942022
• Ashley R. Head and Roman Tsyshevsky and Lena Trotochaud and Yi Yu and Line Kyhl and Osman Karslioǧlu and Maija M. Kuklja and Hendrik Bluhm. (2016). Adsorption of Dimethyl Methylphosphonate on MoO₃: The Role of Oxygen Vacancies. The Journal of Physical Chemistry C. doi:10.1021/acs.jpcc.6b07340
• Barton A. Forman and Yuan Xue. (2016). Machine learning predictions of passive microwave brightness temperature over snow-covered land using the special sensor microwave imager (SSM/I). Physical Geography. doi:10.1080/02723646.2016.1236606
• Bharat Singh and Tim K. Marks and Michael Jones and Oncel Tuzel and Ming Shao. (2016). A Multi-stream Bi-directional Recurrent Neural Network for Fine-Grained Action Detection. 2016 IEEE Conference on Computer Vision and Pattern Recognition (CVPR), 2016, pp. 1961-1970. doi:10.1109/CVPR.2016.216
• Christopher T. Boughter and Viviana Monje-Galvan and Wonpil Im and Jeffery B. Klauda. (2016). Influence of Cholesterol on Phospholipid Bilayer Structure and Dynamics. The Journal of Physical Chemistry B. doi:10.1021/acs.jpcb.6b08574
• Forman, B. A., Y. Xue , and J. Wang. (2016). Multi-sensor assimilation for global snow: Towards a combined, radiometric and gravimetric data assimilation approach. American Geophysical Union, Fall General Assembly 2016, abstract id. H33H-1642. doi:
• Fudong Han and Yizhou Zhu and Xingfeng He and Yifei Mo and Chunsheng Wang. (2016). Electrochemical Stability of Li₁₀ GeP₂ S₁₂ and Li₇ La₃ Zr₂ O₁₂ Solid Electrolytes. Advanced Energy Materials. doi:10.1002/aenm.201501590
• Joseph Eugene Andrews and Shayandev Sinha and Peter W. Chung and Siddhartha Das. (2016). Wetting dynamics of a water nanodrop on graphene. Physical Chemistry Chemical Physics. doi:10.1039/C6CP01936F
• Kai He and Sen Zhang and Jing Li and Xiqian Yu and Qingping Meng and Yizhou Zhu and Enyuan Hu and Ke Sun and Hongseok Yun and Xiao-Qing Yang and Yimei Zhu and Hong Gan and Yifei Mo and Eric A. Stach and Christopher B. Murray and Dong Su. (2016). Visualizing non-equilibrium lithiation of spinel oxide via in situ transmission electron microscopy. Nature Communications. doi:10.1038/ncomms11441
• Maxmore Chaibva and Sudi Jawahery and Albert~W. Pilkington and James~R. Arndt and Olivia Sarver and Stephen Valentine and Silvina Matysiak and Justin Legleiter. (2016). Acetylation within the First 17 Residues of Huntingtin Exon 1 Alters Aggregation and Lipid Binding. Biophysical Journal. doi:10.1016/j.bpj.2016.06.018
• Mo, YF. (2016). Accelerating Materials Design and Discovery using Computational Approaches. TechConnect World Innovation Conference, DC (05/2016) (Invited). doi:
• Mo, YF. (2016). Critical Roles of Interface Engineering in All-Solid-State Li-Ion Batteries: Insights from First Principles Calculations. ECS meeting, San Diego, CA (05/2016) (Invited). doi:
• Mo, YF. (2016). Design Solid Electrolyte with High Ionic Conductivity and Enhanced Stability using First Principles Computation. ACS Meeting, San Diego, CA (03/2016) (Invited). doi:
• Mo, YF. (2016). Overcoming Materials Challenges in All-Solid-State Li-ion Batteries: Insights from Computational Modeling. TechConnect World Innovation Conference, DC (05/2016). doi:
• Mo, YF. (2016). Towards Computational Design of Solid Interfaces using First Principles Computation - A Case Study in All-Solid-State Li-ion Battery. MRS Spring Meeting, Phoenix, AZ (03/2016). doi:
• Mo, YF. (2016). Understanding Solid Interfaces in All-Solid-State Li-ion Batteries: Insights from First Principles Computation. ACS Meeting, San Diego, CA (03/2016) (Invited). doi:
• Mo, YF. (2016). Understanding Solid Interfaces in All-Solid-State Li-ion Batteries: Insights from First Principles Computation. MRS Spring Meeting, Phoenix, AZ (03/2016). doi:
• Ning Ren and Yi Wang and S'ebastien Vilfayeau and Arnaud Trouv'e. (2016). Large eddy simulation of turbulent vertical wall fires supplied with gaseous fuel through porous burners. Combustion and Flame. doi:10.1016/j.combustflame.2015.12.008
• Pongratz, C., Milke, J.A. and Trouvé, A.. (2016). A CFD study to identify methods to increase maximum velocity of makeup air for atrium smoke control, ST-16-(RP-1600). ASHRAE Transactions, 122:10-20 (2016). doi:
• Rachael Barton and Pouyan Khakbaz and Indrani Bera and Jeffery B. Klauda and M. Kathryn Iovine and Bryan W. Berger. (2016). Interplay of Specific Trans- and Juxtamembrane Interfaces in Plexin A3 Dimerization and Signal Transduction. Biochemistry. doi:10.1021/acs.biochem.6b00517
• Roman Tsyshevsky, Anton S. Zverev, Anatoly Y. Mitrofanov, Natalya N. Ilyakova, Mikhail V. Kostyanko, Sergey V. Luzgarev, Guzel G. Garifzianova, and Maija M. Kuklja. (2016). Role of Hydrogen Abstraction Reaction in Photocatalytic Decomposition of High Energy Density Materials. J. Phys. Chem. C 120 (2016) pp 24835-24846. doi:
• S. Vilfayeau and J.P. White and P.B. Sunderland and A.W. Marshall and A. Trouv'e. (2016). Large eddy simulation of flame extinction in a turbulent line fire exposed to air-nitrogen co-flow. Fire Safety Journal. doi:10.1016/j.firesaf.2016.09.003
• Sai J. Ganesan and Hongcheng Xu and Silvina Matysiak. (2016). Effect of lipid head group interactions on membrane properties and membrane-induced cationic β-hairpin folding. Physical Chemistry Chemical Physics. doi:10.1039/C5CP07669B
• Sai J. Ganesan and Silvina Matysiak. (2016). Interplay between the hydrophobic effect and dipole interactions in peptide aggregation at interfaces. Physical Chemistry Chemical Physics. doi:10.1039/C5CP05867H
• Tao, J., R. H. Reichle, R. Koster, Y. Xue , and B. A. Forman. (2016). Improving thermodynamic representation in permafrost modeling within the NASA Catchment Land Surface Model. American Geophysical Union, Fall General Assembly 2016, abstract id. C22B-02. doi:
• Viviana Monje-Galvan and Jeffery B. Klauda. (2016). Peripheral membrane proteins: Tying the knot between experiment and computation. Biochimica et Biophysica Acta (BBA) - Biomembranes. doi:10.1016/j.bbamem.2016.02.018
• Wei Luo and Yunhui Gong and Yizhou Zhu and Kun Kelvin Fu and Jiaqi Dai and Steven D. Lacey and Chengwei Wang and Boyang Liu and Xiaogang Han and Yifei Mo and Eric D. Wachsman and Liangbing Hu. (2016). Transition from Superlithiophobicity to Superlithiophilicity of Garnet Solid-State Electrolyte. Journal of the American Chemical Society. doi:10.1021/jacs.6b06777
• Xiaogang Han and Yunhui Gong and Kun Fu and Xingfeng He and Gregory T. Hitz and Jiaqi Dai and Alex Pearse and Boyang Liu and Howard Wang and Gary Rubloff and Yifei Mo and Venkataraman Thangadurai and Eric D. Wachsman and Liangbing Hu. (2016). Negating interfacial impedance in garnet-based solid-state Li metal batteries. Nature Materials. doi:10.1038/nmat4821
• Xiaohong Zhuang and Eder M. D'avila-Contreras and Andrew H. Beaven and Wonpil Im and Jeffery B. Klauda. (2016). An extensive simulation study of lipid bilayer properties with different head groups, acyl chain lengths, and chain saturations. Biochimica et Biophysica Acta (BBA) - Biomembranes. doi:10.1016/j.bbamem.2016.09.016
• Xiaohong Zhuang and Jeffery B. Klauda. (2016). Modeling structural transitions from the periplasmic-open state of lactose permease and interpretations of spin label experiments. Biochimica et Biophysica Acta (BBA) - Biomembranes. doi:10.1016/j.bbamem.2016.04.008
• Xue, Y. and B. A. Forman. (2016). Towards improved snow mass estimation in Alaska: Integration of satellite-based passive microwave brightness temperatures with support vector machines into an ensemble-based land data assimilation system. American Geophysical Union, Fall General Assembly 2016, abstract id. H33H-1665. doi:
• Yizhou Zhu and Xingfeng He and Yifei Mo. (2016). First principles study on electrochemical and chemical stability of solid electrolyte-electrode interfaces in all-solid-state Li-ion batteries. Journal of Materials Chemistry A. doi:10.1039/c5ta08574h
• Charles W. Schwartz and Barton A. Forman and Christopher W. Leininger. (2015). Alternative Source of Climate Data for Mechanistic-Empirical Pavement Performance Prediction. Transportation Research Record: Journal of the Transportation Research Board. doi:10.3141/2524-08
• Forman, B. A.. (2015). Feasibility of passive microwave brightness temperature assimilation over snow covered land using machine learning. 72nd Eastern Snow Conference, Sherbrooke, Quebec, Canada, 2015. doi:
• Forman, B. A.. (2015). Synthetic tests of passive microwave brightness temperature assimilation over snow covered land using machine learning algorithms. American Geophysical Union Annual Meeting, San Francisco, California, United States, 2015. doi:
• J.P. White and E.D. Link and A.C. Trouv'e and P.B. Sunderland and A.W. Marshall and J.A. Sheffel and M.L. Corn and M.B. Colket and M. Chaos and H.-Z. Yu. (2015). Radiative emissions measurements from a buoyant, turbulent line flame under oxidizer-dilution quenching conditions. Fire Safety Journal. doi:10.1016/j.firesaf.2015.05.003
• Kai He and Feng Lin and Yizhou Zhu and Xiqian Yu and Jing Li and Ruoqian Lin and Dennis Nordlund and Tsu-Chien Weng and Ryan M. Richards and Xiao-Qing Yang and Marca M. Doeff and Eric A. Stach and Yifei Mo and Huolin L. Xin and Dong Su. (2015). Sodiation Kinetics of Metal Oxide Conversion Electrodes: A Comparative Study with Lithiation. Nano Letters. doi:10.1021/acs.nanolett.5b01709
• M. C. Rochoux and C. Emery and S. Ricci and B. Cuenot and A. Trouv'e. (2015). Towards predictive data-driven simulations of wildfire spread - Part II: Ensemble Kalman Filter for the state estimation of a front-tracking simulator of wildfire spread. Natural Hazards and Earth System Sciences. doi:10.5194/nhess-15-1721-2015
• Michael McCutchen and Lang G. Chen and Harry Bermudez and Silvina Matysiak. (2015). Interplay of Dynamical Properties between Ionic Liquids and Ionic Surfactants: Mechanism and Aggregation. The Journal of Physical Chemistry B. doi:10.1021/acs.jpcb.5b05151
• Michael Price and Andr'e Marshall and Arnaud Trouv'e. (2015). A Multi-observable Approach to Address the Ill-Posed Nature of Inverse Fire Modeling Problems. Fire Technology. doi:10.1007/s10694-015-0541-7
• Paul G. Arias and Vivien R. Lecoustre and Somesh Roy and Zhaoyu Luo and Daniel C. Haworth and Tianfeng Lu and Arnaud Trouv'e and Hong G. Im. (2015). Dynamics of flow-soot interaction in wrinkled non-premixed ethylene-air flames. Combustion Theory and Modelling. doi:10.1080/13647830.2015.1067331 CrossMark Logo
• Pouyan Khakbaz and Jeffery B. Klauda. (2015). Probing the importance of lipid diversity in cell membranes via molecular simulation. Chemistry and Physics of Lipids. doi:10.1016/j.chemphyslip.2015.08.003
• Ryan M. Konas and John L. Daristotle and Ndubuisi B. Harbor and Jeffery B. Klauda. (2015). Biophysical Changes of Lipid Membranes in the Presence of Ethanol at Varying Concentrations. The Journal of Physical Chemistry B. doi:10.1021/acs.jpcb.5b06066
• S. Vilfayeau and N. Ren and Y. Wang and A. Trouv'e. (2015). Numerical simulation of under-ventilated liquid-fueled compartment fires with flame extinction and thermally-driven fuel evaporation. Proceedings of the Combustion Institute. doi:10.1016/j.proci.2014.05.072
• Viviana Monje-Galvan and Jeffery B. Klauda. (2015). Modeling Yeast Organelle Membranes and How Lipid Diversity Influences Bilayer Properties. Biochemistry. doi:10.1021/acs.biochem.5b00718
• Xingfeng He and Yifei Mo. (2015). Accelerated materials design of Na_0.5Bi_0.5TiO₃ oxygen ionic conductors based on first principles calculations. Physical Chemistry Chemical Physics. doi:10.1039/C5CP02181B
• Xue, Y. , B. A. Forman, and X. Tao. (2015). Can the predictability of the snow water equivalent be enhanced through forest decoupling using leaf area index across snow-covered regions?. 72nd Eastern Snow Conference, Sherbrooke, Quebec, Canada, 2015. doi:
• Xue, Y. and B. A. Forman. (2015). Investigating the role of total precipitable water and leaf area index in the decoupling of passive microwave brightness temperatures over snowcovered regions of forested terrain in North America. American Geophysical Union Annual Meeting, San Francisco, California, United States, 2015. doi:
• Yizhou Zhu and Xingfeng He and Yifei Mo. (2015). Origin of Outstanding Stability in the Lithium Solid Electrolyte Materials: Insights from Thermodynamic Analyses Based on First-Principles Calculations. ACS Applied Materials &amp$mathsemicolon$ Interfaces. doi:10.1021/acsami.5b07517
• Yuan Xue and Barton A. Forman. (2015). Comparison of passive microwave brightness temperature prediction sensitivities over snow-covered land in North America using machine learning algorithms and the Advanced Microwave Scanning Radiometer. Remote Sensing of Environment. doi:10.1016/j.rse.2015.09.009
• Deepa Subramanian and Jeffery B. Klauda and Peter J. Collings and Mikhail A. Anisimov. (2014). Mesoscale Phenomena in Ternary Solutions of Tertiary Butyl Alcohol, Water, and Propylene Oxide. The Journal of Physical Chemistry B. doi:10.1021/jp4125183
• Hojin Kang and Jeffery B. Klauda. (2014). Molecular dynamics simulations of palmitoyloleoylphosphatidylglycerol bilayers. Molecular Simulation. doi:10.1080/08927022.2014.926548
• Richard~M. Venable and Alexander~J. Sodt and Brent Rogaski and Huan Rui and Elizabeth Hatcher and Alexander~D. MacKerell and Richard~W. Pastor and Jeffery~B. Klauda. (2014). CHARMM All-Atom Additive Force Field for Sphingomyelin: Elucidation of Hydrogen Bonding and of Positive Curvature. Biophysical Journal. doi:10.1016/j.bpj.2014.05.034
• Sarah Lee and Alan Tran and Matthew Allsopp and Joseph B. Lim and J'er^ome H'enin and Jeffery B. Klauda. (2014). CHARMM36 United Atom Chain Model for Lipids and Surfactants. The Journal of Physical Chemistry B. doi:10.1021/jp410344g
• Xiaohong Zhuang and Judah R. Makover and Wonpil Im and Jeffery B. Klauda. (2014). A systematic molecular dynamics simulation study of temperature dependent bilayer structural properties. Biochimica et Biophysica Acta (BBA) - Biomembranes. doi:10.1016/j.bbamem.2014.06.010
• Diana Y. Villanueva and Joseph B. Lim and Jeffery B. Klauda. (2013). Influence of Ester-Modified Lipids on Bilayer Structure. Langmuir. doi:10.1021/la403919h
• Subramanian, D., C.T. Boughter, J.B. Klauda, B. Hammouda, and M.A. Anisimov. (2013). Mesoscale inhomogeneities in aqueous solutions of small amphiphilic molecules. Faraday Discuss. 167: 217-238 (2013). doi:
• Subramanian, D., J.B. Klauda, J. Leys, and M.A. Anisimov. (2013). Thermodynamic Anomalies and Structural Fluctuations in Aqueous Solutions of Tertiary Butyl Alcohol. Herald of St. Petersburg University (Vestnik) 2013, 4, 139 - 153. doi:
• Brent Rogaski and Jeffery B. Klauda. (2012). Membrane-Binding Mechanism of a Peripheral Membrane Protein through Microsecond Molecular Dynamics Simulations. Journal of Molecular Biology. doi:10.1016/j.jmb.2012.08.015
• Hussein M. Ezzeldin and Jeffery B. Klauda and Santiago D. Solares. (2012). Modeling of the major gas vesicle protein, GvpA: From protein sequence to vesicle wall structure. Journal of Structural Biology. doi:10.1016/j.jsb.2012.04.015
• Jeffery B. Klauda and Viviana Monje and Taehoon Kim and Wonpil Im. (2012). Improving the CHARMM Force Field for Polyunsaturated Fatty Acid Chains. The Journal of Physical Chemistry B. doi:10.1021/jp304056p
• Kunal R. Pandit and Jeffery B. Klauda. (2012). Membrane models of E. coli containing cyclic moieties in the aliphatic lipid chain. Biochimica et Biophysica Acta (BBA) - Biomembranes. doi:10.1016/j.bbamem.2012.01.009
• Joseph B. Lim and Brent Rogaski and Jeffery B. Klauda. (2011). Update of the Cholesterol Force Field Parameters in CHARMM. The Journal of Physical Chemistry B. doi:10.1021/jp207925m
• Joseph B. Lim and Jeffery B. Klauda. (2011). Lipid chain branching at the iso- and anteiso-positions in complex chlamydia membranes: A molecular dynamics study. Biochimica et Biophysica Acta (BBA) - Biomembranes. doi:10.1016/j.bbamem.2010.07.036
• Joseph W. O'Connor and Jeffery B. Klauda. (2011). Lipid Membranes with a Majority of Cholesterol: Applications to the Ocular Lens and Aquaporin 0. The Journal of Physical Chemistry B. doi:10.1021/jp108650u
• Brent Rogaski and Joseph B. Lim and Jeffery B. Klauda. (2010). Sterol Binding and Membrane Lipid Attachment to the Osh4 Protein of Yeast. The Journal of Physical Chemistry B. doi:10.1021/jp106890e
• Jeffery B. Klauda and Richard M. Venable and J. Alfredo Freites and Joseph W. O'Connor and Douglas J. Tobias and Carlos Mondragon-Ramirez and Igor Vorobyov and Alexander D. MacKerell and Richard W. Pastor. (2010). Update of the CHARMM All-Atom Additive Force Field for Lipids: Validation on Six Lipid Types. The Journal of Physical Chemistry B. doi:10.1021/jp101759q
• Pushkar Y. Pendse and Bernard R. Brooks and Jeffery B. Klauda. (2010). Probing the Periplasmic-Open State of Lactose Permease in Response to Sugar Binding and Proton Translocation. Journal of Molecular Biology. doi:10.1016/j.jmb.2010.09.045
• Sunhwan Jo and Huan Rui and Joseph B. Lim and Jeffery B. Klauda and Wonpil Im. (2010). Cholesterol Flip-Flop: Insights from Free Energy Simulation Studies. The Journal of Physical Chemistry B. doi:10.1021/jp108166k
• Sunhwan Jo and Joseph B. Lim and Jeffery B. Klauda and Wonpil Im. (2009). CHARMM-GUI Membrane Builder for Mixed Bilayers and Its Application to Yeast Membranes. Biophysical Journal. doi:10.1016/j.bpj.2009.04.013

School of Public Health

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• Zhenyao Ye and Chen Mo and Song Liu and Kathryn S. Hatch and Si Gao and Yizhou Ma and L. Elliot Hong and Paul M. Thompson and Neda Jahanshad and Ashley Acheson and Hugh Garavan and Li Shen and Thomas E. Nichols and Peter Kochunov and Shuo Chen and Tianzhou Ma. (2021). White Matter Integrity and Nicotine Dependence: Evaluating Vertical and Horizontal Pleiotropy. Frontiers in Neuroscience. doi:10.3389/fnins.2021.738037
• Zhenyao Ye and Hongjie Ke and Shuo Chen and Raul Cruz-Cano and Xin He and Jing Zhang and Joanne Dorgan and Donald K. Milton and Tianzhou Ma. (2021). Biomarker Categorization in Transcriptomic Meta-Analysis by Concordant Patterns With Application to Pan-Cancer Studies. Frontiers in Genetics. doi:10.3389/fgene.2021.651546

School of Public Policy

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• Cui, R., D. Cui, C. Dahl, C. Squire, L. Clarke, N. Hultman. (2021). A global plant-by-plant coal phase-out strategy.. Policy Brief. Center for Global Sustainability, Dec 2021. doi:
• Hultman, Nathan Leon Clarke, Haewon McJeon, Ryna Cui, Pete Hansel, Emily McGlynn, Kowan O'Keefe, John O'Neill, Celeste Wanner, Alicia Zhao. (2021). Charting an ambitious U.S. NDC of 51% reduction by 2030. Working paper. Center for Global Sustainability at University of Maryland. Feb, 2021. doi:
• Hultman, Nathan, Leon Clarke, Haewon McJeon, Ryna Cui, Pete Hansel, Emily McGlynn, Kowan O’Keefe, John O’Neill, Celeste Wanner, and Alicia Zhao. (2021). Charting an ambitious U.S. NDC of 51% reduction by 2030.. Center for Global Sustainability Working Paper. College Park, MD: University of Maryland Center for Global Sustainability. 5pp. doi:
• Cui, R., N. Hultman, K. Jiang, H. McJeon, S. Yu, D. Cui, M. Edwards, A. Sen, K. Song, C. Bowman, L. Clarke, J. Kang, F. Yang, J. Yuan, W. Zhang. (2020). A High Ambition Coal Phaseout in China: Feasible Strategies through a Comprehensive Plant-by-Plant Assessment. Center for Global Sustainability: College Park, Maryland. 37 pp. (2020). doi: