Research at UMD using HPC Resources: Publications, etc.

This page is an incomplete collection of some of the publications, etc. that were made possible in part due to the High Performance Computing resources at the University of Maryland. If you are a researcher and wish to add your research using one of the Deepthought clusters to the list, please contact us.

Publications

Click on the title to see more information about a particular publication (if available). Click on an author to see more publications by that author. This same data is also available arranged by author or arranged by college and department.

2021

  1. Ahmed, Mohamed M. and Arnaud Trouvé. Large eddy simulation of the unstable flame structure and gas-to-liquid thermal feedback in a medium-scale methanol pool fire. Combust. Flame,225:237-254 (2021). doi:10.1016/j.combustflame.2020.10.055
  2. Ahmed, Mohamed Mohsen and Arnaud Trouvé. 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).
  3. Allsopp, Robert .J, and Jeffrey B. Klauda. Impact of PIP2 Lipids and Force Field Parameters on the Binding of Osh4's α6-α7 Doma. n Journal of Physical Chemistry B. 125: 5293-5308 (2021). doi:10.1021/acs.jpcb.0c10393
  4. Arias, Paulo, James Baeder, Yong Su Jung. Aeroacoustic Analysis of Asymmetric Lift-Offset Helicopter in Forward Flight. 77th Annual Forum Proceedings of the Vertical Flight Society, Virtual, 2021.
  5. Butler, C., T. Whalen, C. Sousa, and S. J. Laurence. Dynamics of a spherical body shedding from a hypersonic ramp. Part 2. Viscous flow. Journal of Fluid Mechanics, 906:A29, 2021. doi:10.1017/jfm.2020.757
  6. Campbell, Mark W., Mingbin Yuan, Viktor C. Polites, Osvaldo Gutierrez, and Gary A. Molander. Photochemical C-H Activation Enables Nickel-Catalyzed Olefin Dicarbofunctionalization. J. Am. Chem. Soc. 2021, 143, 10, 3901-3910. doi:10.1021/jacs.0c13077
  7. Cui, Ryna Yiyun, Nathan Hultman, Diyang Cui, Haewon McJeon, Sha Yu, Morgan R. Edwards, Arijit Sen, Kaihui Song, Christina Bowman, Leon Clarke, Junjie Kang, Jiehong Lou, Fuqiang Yang, Jiahai Yuan, Weirong Zhang and Mengye Zhu. A plant-by-plant strategy for high-ambition coal power phaseout in China. Nat Commun 12, 1468 (2021). doi:10.1038/s41467-021-21786-0
  8. Etha, Sai Ankit, Parth Rakesh Desai, Harnoor Singh Sachar, and Siddhartha Das. Wetting Dynamics on Solvophilic, Soft, Porous, and Responsive Surfaces. Macromolecules 2021,52,2,584-596. doi:10.1021/acs.macromol.0c02234
  9. Faust, Jan-Arun, Yong Su Jung, James Baeder, André Bauknecht, and Jürgen Rauleder. Interactional Aerodynamic Analysis of an Asymmetric Lift-Offset Compound Helicopter in Forward Flight. Journal of the American Helicopter Society, Vol. 66, 2021. doi:10.4050/JAHS.66.032011
  10. Gopal, A., P. S. Volpiani, S. Yellapantula and J. Larsson. Computational investigation of real fluid effects in cryogenic laminar premixed CH4-O2 flames. J. Supercrit. Fluids 168, 105045, 2021. doi:10.1016/j.supflu.2020.105045
  11. He, Chengjian, Chris Ware, Seungjoon Yang, Jeewoong Kim, James Baeder, and Yong Su Jung. eVTOL Rotor Noise Study Using Comprehensive Modeling Combined with Acoustic Analysis. 77th Annual Forum Proceedings of the Vertical Flight Society, Virtual, 2021.
  12. 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. 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.
  13. Hultman, Nathan, Leon Clarke, Haewon McJeon, Ryna Cui, Pete Hansel, Emily McGlynn, Kowan O’Keefe, John O’Neill, Celeste Wanner, and Alicia Zhao. 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.
  14. Jiang, Rongsheng Lei Sun, Chao Sun & Xin-Zhong Liang. CWRF downscaling and understanding of China precipitation projections.. Climate Dynamics, (2021) 1-18. doi:10.1007/s00382-021-05759-z
  15. Jung, Yong Su, James Baeder, and Chengjian He. Investigation of Empirical Rotor Broadband Prediction using CFD Boundary Layer Parameters Extraction. 77th Annual Forum Proceedings of the Vertical Flight Society, Virtual, 2021.
  16. Kholodovsky, Vitaly and Xin-Zhong Liang. A generalized Spatio-Temporal Threshold Clustering method for identification of extreme event patterns.. Advances in Statistical Climatology, Meteorology and Oceanography, 7(1), 35-52 (2021). doi:10.5194/ascmo-7-35-2021
  17. Lee, Bumseok. 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.
  18. Lee, Bumseok and James D. Baeder. Prediction and Validation of Laminar-Turbulent Transition using SA-gamma transition model. AIAA Scitech 2021 Forum, Virtual, 2021. doi:10.2514/6.2021-1532
  19. Lee, Bumseok and James D. Baeder. The effect of time marching on the wake structure breakdown in a hovering rotor simulation. AIAA Scitech 2021 Forum, Virtual, 2021. doi:10.2514/6.2021-0736
  20. Li, Tangyuan, Yonggang Yao, Zhennan Huang, Pengfei Xie, Zhenyu Liu, Menghao Yang, Jinlong Gao, Kaizhu Zeng, Alexandra H. Brozena, Glenn Pastel, Miaolun Jiao, Qi Dong, Jiaqi Dai, Shuke Li, Han Zong, Miaofang Chi, Jian Luo, Yifei Mo, Guofeng Wang, Chao Wang, Reza Shahbazian-Yassar, Liangbing Hu. Denary oxide nanoparticles as highly stable catalysts for methane combustion. Nature Catalysis 4, 62-70 (2021). doi:10.1038/s41929-020-00554-1
  21. Lumba, Ravi and Anubhav Datta. Scalable Mesh Partitioning for Large-Scale 3D Finite Element Multibody Structures. IAA Scitech 2021 Forum, January 11-15 & 19-21, 2021.
  22. Olondo Kuba, Jacob Yalun Yu, and Jeffery B.Klauda. Estimating Localization of Various Statins within a POPC Bilayer. Chemistry and Physics of Lipids. 236: 105074 (2021). doi:10.1016/j.chemphyslip.2021.105074
  23. Pial, Turash Haque, Harnoor Singh Sachar, Parth Rakesh Desai, and Siddhartha Das. Overscreening, Coion-Dominated Electroosmosis, and Electric Field Strength Mediated Flow Reversal in Polyelectrolyte Brush Functionalized Nanochannels. ACS Nano 2021. doi:10.1021/acsnano.0c09248
  24. Potsdam, Mark, Bumseok Lee, Yong Su Jung, and James Baeder. Hub Flow Near-Wake Validation using CREATETM-AV Helios and UMD Mercury Framework. 77th Annual Forum Proceedings of the Vertical Flight Society, Virtual, 2021.
  25. Rui Xu, Van Minh Le, Alexis Marchand, Thomas Rogaume, Franck Richard, Jocelyn Luche and Arnaud Trouvé. The unsteady response of radiating laminar diffusion flames exposed to decreasing mixing rate conditions representative of fires. Combust. Theory Modelling, 25:1-21 (2021). doi:10.1080/13647830.2020.1823021
  26. Sachar, Harnoor Singh, Bhargav Sai Chava, Turash Haque Pial, and Siddhartha Das. Hydrogen Bonding and Its Effect on the Orientational Dynamics of Water Molecules inside Polyelectrolyte Brush-Induced Soft and Active Nanoconfinement. Macromolecules 2021, 54 2011-2021. doi:10.1021/acs.macromol.0c02813
  27. Shi, Wenru Haishan Chen, and Xin-Zhong Liang. CWRF-based ensemble simulation of tropical cyclone activity near China and its sensitivity to the model physical parameterization schemes.. Atmospheric and Oceanic Science Letters (14) 1 2021. doi:10.1016/j.aosl.2020.100004
  28. Tsyshevsky, Roman, Monica McEntee, Erin M Durke, Christopher Karwacki, and Maija M Kuklja. Degradation of Fatal Toxic Nerve Agents on Dry TiO2. ACS Appl. Mater. Interfaces, 13(1):696-705 (2021). doi:10.1021/acsami.0c19261
  29. Xu, Rui, Van Minh Le, Alexis Marchand, Salman Verma, Thomas Rogaume, Franck Richard, Jocelyn Luche, Arnaud Trouvé. 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).
  30. Yang, Menghao, Yunsheng Liu, Adelaide M. Nolan, Yifei Mo. Interfacial Atomistic Mechanisms of Lithium Metal Stripping and Plating in Solid-State Batteries. Advanced Materials 2021, 33, 2008081. doi:10.1002/adma.202008081
  31. Yuan, Yiding, Yalun Yu, and Jeffery B. Klauda. Simulations of Diabetic and Non-Diabetic Peripheral Nerve Myelin Lipid Bilayers. Journal of Physical Chemistry B. 125: 6201-6213 (2021). doi:10.1021/acs.jpcb.1c01621

2020

  1. Ahmad, J. and B. A. Forman. 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.
  2. Ahmad, J. and B. A. Forman. 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.
  3. Bai, Ying, Ping Yuan, Huanmin Zhang, Ramesh Ramachandran, Ning Yang, Jiuzhou Song. Adiponectin and its receptor genes expression in response to MDV infection of White Leghorns. Poultry Science. Sep(99)9:4249-4258 (2020). doi:10.1016/j.psj.2020.06.004
  4. Bussi, Giovanni, Alessandro Laio, Pratyush Tiwary. Metadynamics: A unified framework for accelerating rare events and sampling thermodynamics and kinetics. Handbook of Materials Modeling: Methods: Theory and Modeling, p.565–595 (2020). doi:10.1007/978-3-319-42913-7_49-1
  5. Cai, Wentao, Lijun Shi, Mingyue Cao, Dan Shen, Junya Li, Shengli Zhang and Jiuzhou Song. Pan-RNA editing analysis in bovine genome. RNA biology 18:3 (2021). doi:10.1080/15476286.2020.1807724
  6. Cao, Daxian, Yubin Zhang, Adelaide M. Nolan, Jinzhi Sheng, Yifei Mo, Yan Wang, Hongli Zhu. Stable Thiophosphate-based All-Solid-State Lithium Batteries through Conformally Interfacial Nano Coating. Nano Lett. 2020, 20, 3, 1483-1490. doi:10.1021/acs.nanolett.9b02678
  7. Chava, Bhargav Sai, Yanbin Wang, Vishal Sankar Sivasankar, Siddhartha Das. Water-free Localization of Anion at Anode for Small-Concentration Water-in-Salt Electrolytes Confined in Boron-Nitride Nanotube. Cell Reports Physical Science 1, 100246 (2020). doi:10.1016/j.xcrp.2020.100246
  8. Chen, Chaoji, Jianwei Song, Jian Cheng, Zhenqian Pang, Wentao Gan, Gegu Chen, Yudi Kuang, Hao Huang, Upamanyu Ray, Teng Li, and Liangbing Hu. Highly Elastic Hydrated Cellulosic Materials with Durable Compressibility and Tunable Conductivity. ACS Nano Article ASAP. doi:10.1021/acsnano.0c04298
  9. Chunping Zhao, Guanyu Ji, José A. Carrillo, Yaokun Li, Fei Tian, Ransom L. Baldwin VI, Linsen Zan and Jiuzhou Song. The Profiling of DNA Methylation and its Regulation on Divergent Tenderness in Angus Beef Cattle. Front. Genet. 2020 Aug 26;11:939. doi:10.3389/fgene.2020.00939
  10. 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. 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).
  11. Erickson, Brittany A., Junle Jiang, Michael Barall, Nadia Lapusta, Eric M. Dunham, Ruth Harris, Lauren S. Abrahams, Kali L. Allison, Jean-Paul Ampuero, Sylvain Barbot, Camilla Cattania, Ahmed Elbanna, Yuri Fialko, Benjamin Idini, Jeremy E. Kozdon, Valère Lambert, Yajing Liu, Yingdi Luo, Xiao Ma, Maricela Best McKay, Paul Segall, Pengcheng Shi, Martijn van den Ende, Meng Wei. The community code verification exercise for simulating sequences of earthquakes and aseismic slip (SEAS).. Seismological Research Letters; 91 (2A): 874-890, (2020). doi: https://doi.org/10.1785/0220190248
  12. Forman, B. A., S. V. Kumar, P. Grogan, L. Wang, Y. Kwon, P. Grogan, R. S. Kim, and Y. Yoon. Exploring the next generation of land surface remote sensing: A comparative analysis of passive optical, passive microwave, active microwave, and LiDAR Retrievals. NASA Earth Science Technology Forum, Dulles, Virginia, United States, 2020.
  13. Forman, B. A., S. V. Kumar, P. Grogan, L. Wang, Y. Kwon, R. S. Kim, and Y. Yoon. What is the optimal mixture of space-borne sensors for remote sensing of terrestrial freshwater?: A comparative analysis of passive optical, passive microwave, active microwave, and LiDAR retrievals. American Geophysical Union Annual Meeting, San Francisco, California, UnitedStates, 2020.
  14. Guo, Lei, Mingbin Yuan, Yanyan Zhang, Fang Wang, Shengqing Zhu, Osvaldo Gutierrez, and Lingling Chu. General Method for Enantioselective Three-Component Carboarylation of Alkenes Enabled by Visible-Light Dual Photoredox/Nickel Catalysis. J. Am. Chem. Soc. 2020, 142, 48, 20390-23099. doi:10.1021/jacs.0c08823
  15. Gutmann, E. D., K. R. Arsenault, C. Vuyovich, G. E. Liston, A. Reinking, A. Fanfarillo, A. J. Newman, J. D. Lundquist, B. A. Forman, S. Wang, M. Wrzesien, and J. R. Arnold. Multi-scale snow-atmosphere interactions over mountain snowpack for climate applications. American Geophysical Union Annual Meeting, San Francisco, California, United States, 2020.
  16. Hao Bai, Yanghua He, Yi Ding, Qin Chu, Ling Lian, Eliyahu M. Heifetz, Ning Yang, Hans H. Cheng, Huanmin Zhang, Jilan Chen & Jiuzhou Song. Genome-wide characterization of copy number variations in the host genome in genetic resistance to Marek's disease using next generation sequencing. BMC Genet. 2020 Jul 16;21(1):77. doi:10.1186/s12863-020-00884-w
  17. He, Chong-Chong, Massimo Ricotti, Sam Geen. Simulating star clusters across cosmic time - II. Escape fraction of ionizing photons from molecular clouds. Monthly Notices of the Royal Astronomical Society 492: 4858–4873 (2020). doi:10.1093/mnras/staa165
  18. He, Hao, Xin-Zhong Liang, Chao Sun, Zhining Tao, and Daniel Q. Tong. The long-term trend and production sensitivity change in the US ozone pollution from observations and model simulations. Atmos. Chem. Phys., 20, 3191–3208, 2020. doi:10.5194/acp-20-3191-2020
  19. Jan-Arun Faust, Yong Su Jung, James Baeder, Jürgen Rauleder. Aerodynamic Analysis of an Asymmetric Lift-Offset Compound Helicopter in Forward Flight using the Mercury CFD Framework. Vertical Flight Society Aeromechanics for Advanced Vertical Flight Technical Meeting, San Jose, CA, January 21-23, (2020).
  20. Jan-Erik Schumann, Siavash Toosi and Johan Larsson. Assessment of grid anisotropy effects on large-eddy simulation models with different length scales. AIAA J. 58, 4522-4533, 2020. doi:10.2514/1.J059576
  21. Jayasundara, Dilhara, James Baeder, Yong Su Jung. CFD and Aeroacoustic Analysis of Wingtip-Mounted Propellers. 76th Annual Forum Proceedings of the Vertical Flight Society, Philadelphia, PA, October 5-8, 2020.
  22. Jianan Liu, Fang Liu, Wentao Cai, Cunling Jia, Ying Bai, Yanghua He, Weiyun Zhu, Robert W. Li & Jiuzhou Song. Diet-induced changes in bacterial communities in the jejunum and their associations with bile acids in Angus beef cattle. Anim Microbiome. 2020 Sep 16;2(1):33. doi: 10.1186/s42523-020-00051-7
  23. Jianwen Liang, Xiaona Li, Shuo Wang, Keegan R. Adair, Weihan Li, Yang Zhao, Changhong Wang, Yongfeng Hu, Li Zhang, Shangqian Zhao, Shigang Lu, Huan Huang, Ruying Li, Yifei Mo, and Xueliang Sun. Site-Occupation-Tuned Superionic LixScCl3+x Halide Solid Electrolytes for All-Solid-State Batteries. Journal of the American Chemical Society 142(15) 7012-7022 (2020). doi:10.1021/jacs.0c00134
  24. Jingheng Wang, Riya Samanta, Gregory Custer, Christopher Look, Silvina Matysiak, and Dorothy Beckett. Tuning Allostery through Integration of Disorder to Order with a Residue Network. Biochemistry 2020, 59, 6, 790–801. doi:10.1021/acs.biochem.9b01006
  25. Jongmin Park, Barton A. Forman, Rolf H. Reichle, Gabrielle De Lannoy and Saad B. Tarik. Evaluation of GEOS-Simulated L-Band Microwave Brightness Temperature Using Aquarius Observations over Non-Frozen Land across North America. Remote Sens. 2020, 12(18), 3098. doi:10.3390/rs12183098
  26. Jordan de Abreu Santos, Daniel, John B Cole, George E Liu, Paul M VanRaden, Li Ma. Gamevar. f90: a software package for calculating individual gametic diversity. BMC Bioinformatics (2020) 21 (1), 1-5. doi:10.1186/s12859-020-3417-x
  27. Jung, Yong Su and James Baeder. Simulations for Effect of Surface Roughness on Wind Turbine Aerodynamic Performance. Journal of Physics: Conference series, Vol. 1452: 012055, (2020). doi:10.1088/1742-6596/1452/1/012055
  28. Kai Zhang, Salman Verma, Arnaud Trouvé, Aymeric Lamorlette. A study of the canopy effect on fire regime transition using an objectively defined Byram convective number. Fire Safety J., 112:102950. doi:10.1016/j.firesaf.2020.102950
  29. Kazuyuki Sugimura, Massimo Ricotti. Structure and instability of the ionization fronts around moving black holes. Monthly Notices of the Royal Astronomical Society 495: 2966–2978 (2020). doi:10.1093/mnras/staa1394
  30. Kim, R. S., S. V. Kumar, C. Vuyovich, P. Houser, M. Durand, L. Mudryk, J. Johnston, J.Lundquist, A. Barros, C. Derksen, C. Garnaud,B. A. Forman, M. Sandells, and M. Wrze-sien. Snow Ensemble Uncertainty Project (SEUP): Quantification of snow water equivalent uncertainty across North America via ensemble land surface modeling. American Meteorological Society Annual Meeting, Boston, Massachusetts, United States, 2020.
  31. Klimchenko, Vera. CFD/CSD Study of Interactional Aerodynamics of a Coaxial Compound Helicopter and High-Speed Forward Flight. Doctoral Dissertation, Department of Aerospace Engineering, University of Maryland, 2020. doi:10.13016/1npy-gtzt
  32. Krämer, Andreas, An Ghysels, Eric Wang, Richard M. Venable, Jeffery B. Klauda, Bernard R. Brooks, and Richard W. Pastor. Membrane Permeability of Small Molecules from Unbiased Molecular Dynamics Simulations. Journal of Chemical Physics. 153: 124107 (2020). doi:10.1063/5.0013429
  33. Kuklja, Maija M., Roman Tsyshevsky, Anton S. Zverev, Anatoly Mitrofanov, Natalya Ilyakova, Denis R. Nurmukhametov and Sergey N. Rashkeev. Achieving tunable chemical reactivity through photo-initiation of energetic materials at metal oxide surfaces. Phys. Chem. Chem. Phys,2020,22,25284-25296. doi:10.1039/D0CP04069J
  34. L. G. Sammon, C. Gao, W. F. McDonoug. Lower Crustal Composition in the Southwestern United States.. Journal of Geophysical Research: Solid Earth, 125(3), e2019JB019011 (2020). doi:10.1029/2019JB019011
  35. Lei Liu, Wes Lee, Cassandra R. Youshaw, Mingbin Yuan, Michael B. Geherty, Peter Y. Zavalij, Osvaldo Gutierrez. Fe-catalyzed three-component dicarbofunctionalization of unactivated alkenes with alkyl halides and Grignard reagents. Chem. Sci. 2020, 11, 8301-8305. doi:10.1039/D0SC02127J
  36. Lei Liu, Wes Lee, Mingbin Yuan, Chris Acha, Michael B. Geherty, Brandon Williams and Osvaldo Gutierrez. Intra- and intermolecular Fe-catalyzed dicarbofunctionalization of vinyl cyclopropanes. Chem. Sci., 2020,11, 3146-3151. doi:10.1039/D0SC00467G
  37. Lei Sun, Xin‐Zhong Liang, Tiejun Ling, Min Xu, Xuhui Lee. Improving a multilevel turbulence closure model for a shallow lake in comparison with other 1-D models.. Journal of Advances in Modeling Earth Systems 12 (7) 2020. doi:10.1029/2019MS001971
  38. Lianping Wu, Shuling Hu, Wenshan Yu, Shengping Shen and Teng Li. Stabilizing mechanism of single-atom catalysts on a defective carbon surface. npj Computational Materials 6, 23 (2020). doi:10.1038/s41524-020-0292-y
  39. Lianping Wu, Tian Guo and Teng Li. Rational design of transition metal single-atom electrocatalysts: A simulation-based, machine learning-accelerated study. J. Mater. Chem. A, 2020,8, 19290-19299. doi:10.1039/D0TA06207C
  40. Lingzhao Fang, Wentao Cai, Shuli Liu, Oriol Canela-Xandri, Yahui Gao, Jicai Jiang, Konrad Rawlik, Bingjie Li, Steven G Schroeder, Benjamin D Rosen, Cong-Jun Li, Tad S Sonstegard, Leeson J Alexander, Curtis P Van Tassell, Paul M VanRaden, John B Cole, Ying Yu, Shengli Zhang, Albert Tenesa, Li Ma, George E Liu. Comprehensive analyses of 723 transcriptomes enhance genetic and biological interpretations for complex traits in cattle. Genome Research (2020) 30 (5), 790-801. doi:10.1101/gr.250704.119
  41. Madeline E. Rotella, Robert M. B. Dyer, Michael K. Hilinski, and Osvaldo Gutierrez. Mechanism of Iminium Salt-Catalyzed C(sp3)–H Amination: Factors Controlling Hydride Transfer versus H-Atom Abstraction. ACS Catal. 2020, 10, 1, 897–906. doi:10.1021/acscatal.9b03588
  42. Mahdi Ghorbani, Eric Wang, Andreas Krämer, and Jeffery B. Klauda. Molecular Dynamics Simulations of Ethanol Permeation through Single and Double-Lipid Bilayers. Journal of Chemical Physics. 153: 125101 (2020). doi:10.1063/5.0013430
  43. Md Shafiqul Islam, Adelaide M. Nolan, Shuo Wang, Qiang Bai, and Yifei Mo. A Computation Study of Fast Proton Diffusion in Brownmillerite Sr2Co2O5. Chemistry of Materials 32, 12, 5028–5035 (2020). doi:10.1021/acs.chemmater.0c00544
  44. Meiling Wu, Mingjin Cui, Lianping Wu, Sooyeon Hwang, Chunpeng Yang, Qinqin Xia, Geng Zhong, Haiyu Qiao, Wentao Gan, Xizheng Wang, Dylan Kline, Michael R. Zachariah, Dong Su, Teng Li, and Liangbing Hu. Hierarchical Polyelemental Nanoparticles as Bifunctional Catalysts for Oxygen Evolution and Reduction Reactions. Adv. Energy Mater. 2020, 2001119. doi:10.1002/aenm.202001119
  45. Mingbin Yuan, Zhihui Song, Shorouk O. Badir, Gary A. Molander, and Osvaldo Gutierrez. On the Nature of C(sp3)–C(sp2) Bond Formation in Nickel-Catalyzed Tertiary Radical Cross-Couplings: A Case Study of Ni/Photoredox Catalytic Cross-Coupling of Alkyl Radicals and Aryl Halides. J. Am. Chem. Soc. 2020, 142, 15, 7225–7234. doi:10.1021/jacs.0c02355
  46. Mohamed Mohsen Ahmed, Arnaud Trouvé. Simulations of the unsteady response of biomass burning particles exposed to oscillatory heat flux conditions. Fire Safety J., 103059 (2020). doi:10.1016/j.firesaf.2020.103059
  47. Mrinalgouda Patil and Anubhav Datta. A Scalable Time-Parallel Solution of Periodic Rotor Dynamics in X3D. 76th Annual Forum Proceedings of the Vertical Flight Society, October 5-8, 2020.
  48. Mrinalgouda Patil and Anubhav Datta. Time-Parallel Scalable Solution of Periodic Rotor Dynamics for Large-Scale 3D Structures. AIAA Scitech 2021 Forum, January 11-15 & 19-21, 2021.
  49. Nathan E. Hultman, Leon Clarke, Carla Frisch, Kevin Kennedy, Haewon McJeon, Tom Cyrs, Pete Hansel, Paul Bodnar, Michelle Manion, Morgan R. Edwards, Ryna Cui, Christina Bowman, Jessie Lund, Michael I. Westphal, Andrew Clapper, Joel Jaeger, Arijit Sen, Jiehong Lou, Devashree Saha, Wendy Jaglom, Koben Calhoun, Kristin Igusky, James deWeese, Kareem Hammoud, J. C. Altimirano, Margaret Dennis, Chris Henderson, Gill Zwicker & John O'Neill. Fusing subnational with national climate action is central to decarbonization: the case of the United States. Nat Commun 11, 5255 (2020). doi:10.1038/s41467-020-18903-w
  50. Nicholas B. Guros, Arvind K. Balijepalli, Jeffery B. Klauda. Microsecond Timescale Simulations Demonstrate 5-HT mediated Pre-activation of the 5-HT3A Serotonin Receptor. Proceedings of the National Academy of Sciences. U.S.A. 117: 405-414 (2020). doi:10.1073/pnas.1908848117
  51. Onnkar Singh, Pei-Yin Lee, Silvina Matysiak and Harry Bermudez. Dual mechanism of ionic-liquid induced protein unfolding. Phys. Chem. Chem. Phys., 22, 19779-19786 (2020). doi:10.1039/D0CP03138K
  52. P. Michel, R.-L. Ballouz, O. S. Barnouin, M. Jutzi, K. J. Walsh, B. H. May, C. Manzoni, D. C. Richardson, S. R. Schwartz, S. Sugita, S. Watanabe, H. Miyamoto, M. Hirabayashi, W. F. Bottke, H. C. Connolly, M. Yoshikawa and D. S. Lauretta. Collisional formation of top-shaped asteroids and implications for the origins of Ryugu and Bennu. Nature Comm. 11, 2655 (2020).. doi:10.1038/s41467-020-16433-z
  53. Pavan Ravindra, Zachary Smith and Pratyush Tiwary. Automatic mutual information noise omission (AMINO): generating order parameters for molecular systems. Mol. Sys. Des. Eng 5, 339-348 (2020). doi:10.1039/C9ME00115H
  54. Pedro S. Volpiani, Matteo Bernardini, and Johan Larsson. Effects of a nonadiabatic wall on hypersonic shock/boundary-layer interactions. Phys Rev Fluids 5 (014602), 2020. doi:10.1103/PhysRevFluids.5.014602
  55. Pedro S. Volpiani, Prahladh S. Iyer, Sergio Pirozzoli, and Johan Larsson. Data-driven compressibility transformation for turbulent wall-layers. Phys Rev Fluids 5 (052602), 2020. doi:10.1103/PhysRevFluids.5.052602
  56. Peng Wang, Yunfeng Li, Luning Wang, Jacek Kłos, Zhiwei Peng, Nam Kim, Hendrik Bluhm, Karen Gaskell, Ping Liu, Sang Bok Lee, Bryan W. Eichhorn, YuHuang Wang. Probing the electrical double layer by operando X‐ray photoelectron spectroscopy through a graphene‐carbon nanotube composite window. EcoMat 2, e12023 (2020). doi:10.1002/eom2.12023
  57. Qingquan Li, Tao Wang, Fang Wang, Xin‐Zhong Liang, Chongbo Zhao, Lili Dong, Chunyu Zhao, Bing Xie. Dynamical downscaling simulation of the East Asian summer monsoon in a regional Climate‐Weather Research and Forecasting model. Int J Climatol. 2020; 1– 17. doi:10.1002/joc.6800
  58. Ravi Lumba and Anubhav Datta. Scalable Mesh Partitioning for Large-Scale 3D Finite Element Multibody Structures. 76th Annual Forum Proceedings of the Vertical Flight Society, October 5-8, 2020.
  59. Rui Xu, Van Minh Le, Alexis Marchand, Salman Verma, Thomas Rogaume, Franck Richard, Jocelyn Luche, Arnaud Trouvé. Simulations of the coupling between combustion and radiation in a turbulent line fire using an unsteady flamelet model. Fire Safety J., 103101 (2020). doi:10.1016/j.firesaf.2020.103101
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  61. Sachar, Harnoor Singh, Turash Haque Pial, Bhargav Sai Chava and Siddhartha Das. All-atom Molecular Dynamics Simulations of Weak Polyionic Brushes: Influence of Charge Density on the Properties of Polyelectrolyte Chains, Brush-supported Counterions, and Water Molecules. Soft Matter. 16: 7808-7822 (2020). doi:10.1039/D0SM01000F
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  70. Sun, Lei, Xin-Zhong Liang, Meng Xia. 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, 12(12), 2020. doi:10.1029/2020MS002319
  71. Sun-Ting Tsai and Pratyush Tiwary. On the distance between A and B in molecular configuration space. Molecular Simulation, p.1–8 (2020). doi:DOI: 10.1080/08927022.2020.1761548
  72. Sun-Ting Tsai, En-Jui Kuo and Pratyush Tiwary. Learning molecular dynamics with simple language model built upon long short-term memory neural network.. Nat Commun 11, 5115 (2020). doi:10.1038/s41467-020-18959-8
  73. Takumi Saegusa. Confidence Bands for a Distribution Function with Merged Data from Multiple Sources.. Statistics in Transition. 21(4) 144-158. doi:10.21307/stattrans-2020-035
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  75. Tsyshevsky, Roman, Ashley R. Head, Lena Trotochaud, Hendrik Bluhm, Maija M. Kuklja. Mechanisms of Degradation of Toxic Nerve Agents: Quantum-chemical Insight into Interactions of Sarin and Soman with Molybdenum Dioxide. Surf. Sci. 121639 (2020). doi:10.1016/j.susc.2020.121639
  76. Upamanyu Ray, Shuze Zhu, Zhenqian Pang, Teng Li. Mechanics Design in Cellulose-Enabled High-Performance Functional Materials. Adv. Mater. 2020, 2002504. doi:10.1002/adma.202002504
  77. Vivian Monje-Galvan, and Jeffery B.Klauda. Interfacial Properties of Aqueous Solutions of Butanol Isomers and Cyclohexane. Fluid Phase Equilibria. 513: 112551 (2020). doi:10.1016/j.fluid.2020.112551
  78. Wang, Chengwei, Weiwei Ping, Qiang Bai, Huachen Cui, Ryan Hensleigh, Ruiliu Wang, Alexandra H. Brozena, Zhenpeng Xu, Jiaqi Dai, Yong Pei, Chaolun Zheng, Glenn Pastel, Jinlong Gao, Xizheng Wang, Howard Wang, Ji-Cheng Zhao, Bao Yang, Xiaoyu (Rayne) Zheng, Jian Luo, Yifei Mo, Bruce Dunn, Liangbing Hu. A general method to synthesize and sinter bulk ceramics in seconds. Science 368, 6490, 521-526 (2020). doi:10.1126/science.aaz7681
  79. Wang, Hongyu, Chen-Fei Liu, Zhihui Song, Mingbin Yuan, Yee Ann Ho, Osvaldo Gutierrez, and Ming Joo Koh. Engaging α-Fluorocarboxylic Acids Directly in Decarboxylative C–C Bond Formation. CS Catal. 2020, 10, 7, 4451–4459. doi:10.1021/acscatal.0c00789
  80. Wang, J. and B. A. Forman. Improved terrestrial snow mass estimation via multi-sensor assimilation of synthetic GRACE terrestrial water storage retrievals and synthetic AMSR-E brightness temperature spectral differences. GRACE Science Team Meeting, Potsdam,Germany, 2020..
  81. Wang, J. and B. A. Forman. Multi-sensor assimilation of synthetic AMSR-E brightness temperature spectral differences and synthetic GRACE terrestrial water storage retrievals to improve terrestrial snow mass. American Geophysical Union Annual Meeting, San Francisco,California, United States, 2020.
  82. Wang, L., B. A. Forman, S. V. Kumar, Y. Kwon, P. Grogan, R. S. Kim, and Y. Yoon. Towards an integrated terrestrial freshwater remote sensing system using the NASA Land Information System (LIS), data assimilation and synthetic retrievals of snow, soil moisture, and vegetation. American Geophysical Union Annual Meeting, San Francisco, California,United States, 2020.
  83. Wang, Ruiliu, Weiwei Ping, Chengwei Wang, Yunsheng Liu, Jinlong Gao, Qi Dong, Xizheng Wang, Yifei Mo, Liangbing Hu. Computation-Guided Synthesis of New Garnet-Type Solid-State Electrolytes via an Ultrafast Sintering Technique. Advanced Materials 2020 Nov; 32(46) 2005059. doi:10.1002/adma.202005059
  84. Wang, Xing & Jung, Yong Su & Baeder, James & Chopra, Inderjit. Blade Structural Load/Airload Correlation on a Slowed Mach-Scaled Rotor at High Advance Ratios. Journal of the American Helicopter Society, Vol 65, No 4 pp. 1-14, 2020. doi:10.4050/JAHS.65.042003
  85. West, Ana, Valeria Zoni, Walter E Teague Jr, Alison N Leonard, Stefano Vanni, Klaus Gawrisch, Stephanie Tristram-Nagle, Jonathan N Sachs, Jeffery B Klauda. How do Ethanolamine Plasmalogens Contribute to Order and Structure of Neurological Membranes?. Journal of Physical Chemistry B. 124: 828-839 (2020). doi:10.1021/acs.jpcb.9b08850
  86. William Miller and Da-Lin Zhang. Tracing extreme updrafts in Hurricane Wilma (2005) to their boundary layer roots using trajectories: A thermodynamic and structural analysis. Monthly Weather Review, 148, 3605–3630 (2020). doi:10.1175/MWR-D-19-0303.1
  87. Wrzesien, M. L., S. V. Kumar, C. Vuyovich, E. D. Gutmann, R. S. Kim, B. A. Forman, M. Durand, M. Raleigh, R. Webb, and P. Houser. Development of a 'nature run' for observation system simulation experiments (OSSE) for snow mission development. American GeophysicalUnion Annual Meeting, San Francisco, California, United States, 2020.
  88. Xiao Zhang, Hong‐Yi Li, L. Ruby Leung, Lu Liu, Mohamad I. Hejazi, Barton A. Forman, and Wondmagegn Yigzaw. River regulation alleviates the impacts of climate change on US thermoelectricity production. Journal of Geophysical Research 125(4)2 2020. doi:10.1029/2019JD031618
  89. Xiaona Li, Qin Ni, Xiuxiu He, Jun Kong, Soon-Mi Lim, Garegin A Papoian, Jerome P Trzeciakowski, Andreea Trache, Yi Jiang. Tensile force-induced cytoskeletal remodeling: Mechanics before chemistry. PLOS Comp Biol; 2020, 16 (6), e1007693. doi:10.1371/journal.pcbi.1007693
  90. Xizheng Wang, Zhenqian Pang, Chaoji Chen, Qinqin Xia, Yubing Zhou, Shuangshuang Jing, Ruiliu Wang, Upamanyu Ray, Wentao Gan, Claire Li, Gegu Chen, Bob Foster, Teng Li, and Liangbing Hu. All-Natural, Degradable, Rolled-Up Straws Based on Cellulose Micro-and Nano-Hybrid Fibers. Advanced Functional Materials, 30, 22 (2020). doi:10.1002/adfm.201910417
  91. Xu, Bin, Ludovic Troian-Gautier, Ryan Dykstra, Robert T. Martin, Osvaldo Gutierrez, and Uttam K. Tambar. Photocatalyzed Diastereoselective Isomerization of Cinnamyl Chlorides to Cyclopropanes. J. Am. Chem. Soc. 2020, 142, 13, 6206–6215. doi:10.1021/jacs.0c00147
  92. Yalun Yu and Jeffery B. Klauda. Update of the CHARMM36 United Atom Chain Model for Hydrocarbons and Phospholipids. Journal of Physical Chemistry B. 124: 6797-6812 (2020). doi:10.1021/acs.jpcb.0c04795
  93. Yihang Wang and Pratyush Tiwary. Understanding the role of predictive time delay and biased propagator in RAVE. J. Chem. Phys. 152, 144102 (2020). doi:10.1063/5.0004838
  94. Yihang Wang, João Marceo Lamim Ribeiro, Pratyush Tiwary. Machine learning approaches for analyzing and enhancing molecular dynamics simulations. Curr. Op. Struc. Bio. 61, 139-145 (2020). doi:10.1016/j.sbi.2019.12.016
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  96. Yin, G., B. A. Forman, and J. Wang. Exploration of terrestrial water storage characterization via assimilation of ground-based GPS observations of vertical displacement and GRACE TWS retrievals. GRACE Science Team Meeting, Potsdam, Germany, 2020.
  97. Yin, Gaohong, Barton A. Forman, Bryant D. Loomis, and Scott B. Luthcke. Comparison of Vertical Sur-face Deformation Estimates Derived from Space-based Gravimetry, Ground-based GPS, andModel-based Hydrologic Loading over Snow-dominated Watersheds in the United States. Fourth Paradigm Institute (CSIR-4PI), Bangalore, India, 2020.
  98. Yin, Gaohong, Barton A. Forman, Bryant D. Loomis, and Scott B. Luthcke. Comparison of vertical surface deformation estimates derived from space-based gravimetry, ground-based GPS, and model-based hydrologic loading over snow-dominated watersheds in the United States. Journal of Geophysical Research - Solid Earth 125(8) 2020. doi:10.1029/2020JB019432
  99. Yin, Gaohong, Barton A. Forman, Jing Wang. Assimilation of ground-based GPS observations of vertical displacement into a land surface model to improve terrestrial water storage estimates. Water Resources Research, 56, e2020WR028763. doi:10.1029/2020WR028763, 2020.5.
  100. Ying Bai, José A. Carrillo, Yaokun Li, Yanghua He & Jiuzhou Song. Diet-induced the change of mtDNA copy number and metabolism in Angus cattle. J Anim Sci Biotechnol. 2020 Jul 21;11:84. doi:10.1186/s40104-020-00482-x
  101. Yunsheng Liu, Shuo Wang, Adelaide M. Nolan, Chen Ling, Yifei Mo. Tailoring the Cation Lattice for Chloride Lithium-Ion Conductors. Advanced Energy Materials, 10, 2002356 (2020). doi:10.1002/aenm.202002356
  102. Zachary Smith, Pavan Ravindra, Yihang Wang, Rory Cooley, and Pratyush Tiwary. Discovering Protein Conformational Flexibility through Artificial-Intelligence-Aided Molecular Dynamics. J. Phys. Chem. B 2020, 124, 38, 8221-8229. doi:10.1021/acs.jpcb.0c03985
  103. Zhantao Liu, Tatiana Zinkevich, Sylvio Indris, Xingfeng He, Jue Liu, Wenqian Xu, Jianming Bai, Shan Xiong, Yifei Mo, and Hailong Chen. Li15P4S16Cl3, a Lithium Chlorothiophosphate as a Solid-State Ionic Conductor. Inorganic Chemistry, 59, 226-234 (2020). doi:10.1021/acs.inorgchem.9b01751
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  105. Zhining Tao, Hao He, Chao Sun, Daniel Tong and Xin-Zhong Liang. Impact of Fire Emissions on U.S. Air Quality from 1997 to 2016–A Modeling Study in the Satellite Era. Remote Sens. 2020, 12(6), 913. doi:10.3390/rs12060913
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2019

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  3. Alexandre M. Sorlin, Jason C. Mixdorf, Madeline E. Rotella, Robert T. Martin, Osvaldo Gutierrez, and Hien M. Nguyen. The Role of Trichloroacetimidate To Enable Iridium-Catalyzed Regio- and Enantioselective Allylic Fluorination: A Combined Experimental and Computational Study. J. Am. Chem. Soc. 2019, 141, 37, 14843–14852. doi:10.1021/jacs.9b07575
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  8. Aravind Chandrasekaran, Arpita Upadhyaya, Garegin A. Papoian. Remarkable structural transformations of actin bundles are driven by their initial polarity, motor activity, crosslinking, and filament treadmilling. PLoS Comp Bio; 2019, 10.1371/journal.pcbi.1007156. doi:10.1371/journal.pcbi.1007156
  9. Austin Virtue, Xiuquan Zhou, Brandon Wilfong, Jeffrey W. Lynn, Keith Taddei, Peter Zavalij, Limin Wang, and Efrain E. Rodriguez. Magnetic order effects on the electronic structure of K M MnS 2 ( M = Cu , Li ) with the ThCr 2 Si 2 -type structure.. Physical Review Materials. 3. 044411 (2019). doi:10.1103/PhysRevMaterials.3.044411
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  14. Bumseok Lee, Yong Su Jung, Dylan Jude, James Baeder. Prediction of Rotor Hub Flow Using Mercury Framework. 75th Annual Forum Proceedings of the Vertical Flight Society, Philadelphia, PA, May 18-21, (2019).
  15. Bumseok Lee, Yong Su Jung, Dylan Jude, James D. Baeder. Turbulent Transition Prediction of PSP Hovering Rotor Using γ-(〖Re〗_θt ) ̅-SA with Crossflow Transition Model. AIAA Scitech 2019 Forum, San Diego, CA, January 7-11, (2019). doi:10.2514/6.2019-0286
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  17. Chong-Chong He, Massimo Ricotti, Sam Geen. Simulating star clusters across cosmic time - I. Initial mass function, star formation rates, and efficiencies. Monthly Notices of the Royal Astronomical Society 489, 1880–1898 (2019). doi:10.1093/mnras/stz2239
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  20. Da-Lin Zhang, Menglin S. Jin, Yixuan Shou, and Chunqing Dong. The influences of urban building complexes on the ambient flows over the Washington-Reston region. Journal of Applied Meteorology and Climatology, 58, 1325-1336 (2019). doi:10.1175/JAMC-D-19-0037.1
  21. Debabrata Pramanik, Zachary Smith, Adam Kells, and Pratyush Tiwary. Can One Trust Kinetic and Thermodynamic Observables from Biased Metadynamics Simulations?: Detailed Quantitative Benchmarks on Millimolar Drug Fragment Dissociation. J. Phys. Chem. B 2019, 123, 17, 3672-3678. doi:10.1021/acs.jpcb.9b01813
  22. Dr. Guanjin Wang, Dr. Amir Riaz and Dr Balakumar Balachandran. Continuum Modeling of Legged Locomotion Interaction with Granular Substrate. Presentation at Engineering Mechanics Institute Conference 2019.
  23. Eric Wang and Jeffery B. Klauda. Molecular Structure of the Long Periodicity Phase in the Stratum Corneum.. J. Amer. Chem. Soc. 141, 42, 16930-16943 (2019). doi:10.1021/jacs.9b08995
  24. Eric Wang and Jeffery B. Klauda. Structure and Permeability of Ceramide Bilayers and Multilayers. J. Phys. Chem. B. 123, 11, 2525-2535 (2019). doi:10.1021/acs.jpcb.9b00037
  25. Eviatar Bach, Safa Motesharrei, Eugenia Kalnay, Alfredo Ruiz-Barradas. Local Atmosphere-Ocean Predictability: Dynamical Origins, Lead Times, and Seasonality. J. Climate 32 pp 7507-7519. 2019.. doi:10.1175/JCLI-D-18-0817.1
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  30. Hoyoung D. Kang and Massimo Ricotti. Ghostly haloes in dwarf galaxies: constraints on the star formation efficiency before reionization. Monthly Notices of the Royal Astronomical Society 488: 2673–2688 (2019). doi:10.1093/mnras/stz1886
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  35. Jude, Dylan. Advancing the Multi-Solver Paradigm for Overset CFD Toward Heterogeneous Architectures. Doctoral Dissertation, Department of Aerospace Engineering, University of Maryland, 2019..
  36. Jung, Yong Su. Hamiltonian Paths and Strands for Unified Grid Approach for Computing Aerodynamic Flows. Doctoral Dissertation, Department of Aerospace Engineering, University of Maryland, 2019..
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2018

  1. Ahmad, J. and B. A. Forman. Support vector machine predictions of passive microwave brightness temperatures over snow-covered terrain in High Mountain Asia: What are the sensitivities and potential pitfalls of machine learning?. 75th Eastern Snow Conference, College Park, Maryland, United States, 2018.
  2. Ahmad, J., Y. Kwon, S. Kumar, and B. A. Forman. Integrating machine learning and brightness temperature assimilation to improve snow estimates over High Mountain Asia. American Geophysical Union Annual Meeting, Washington, D.C., United States, 2018.
  3. Alison N. Leonard, Andrew C. Simmonett, Frank C. Pickard, IV, Jing Huang, Richard M. Venable, Jeffery B. Klauda, Bernard R. Brooks, and Richard W. Pastor. Comparison of Additive and Polarizable Models with Explicit Treatment of Long-Range Lennard-Jones Interactions Using Alkane Simulations. Journal of Chemical Theory Computation. 14, 948-958 (2018). doi:10.1021/acs.jctc.7b00948
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  5. Ally Toure, Rolf Reichle, B. Forman, Augusto Getirana, Gabriëlle De Lannoy. Assimilation of MODIS Snow Cover Fraction Observations into the NASA Catchment Land Surface Model. Remote Sensing. 10. 316. 1(2018). doi:10.3390/rs10020316
  6. Ashley R Head, Roman Tsyshevsky, Lena Trotochaud, Yi Yu, Osman Karslolu, Bryan Eichhorn, Maija M Kuklja and Hendrik Bluhm. Dimethyl methylphosphonate adsorption and decomposition on MoO2 as studied by ambient pressure x-ray photoelectron spectroscopy and DFT calculations. 2018 J. Phys.: Condens. Matter 30 134005. doi:10.1088/1361-648X/aab192
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  15. Chaoji Chen, Yanan Chen, Shuze Zhu, Jiaqi Dai, Glenn Pastel, Yonggang Yao, Dapeng Liu, Yanbin Wang, Jiayu Wan, Teng Li, Wei Luo and Liangbing Hu. Catalyst-Free In Situ Carbon Nanotube Growth in Confined Space via High Temperature Gradient. Research, vol. 2018, Article ID 1793784, 9 pages, 2018.. doi:10.1155/2018/17937840.
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  22. Eric Wang and Jeffery B. Klauda. Models for the Stratum Corneum Lipid Matrix: Effects of Ceramide Concentration, Ceramide Hydroxylation, and Free Fatty Acid Protonation. Journal of Physical Chemistry B. 122, 11996-12008 (2018). doi:10.1021/acs.jpcb.8b06188
  23. Eric Wang and Jeffery B. Klauda. Simulations of Pure Ceramide and Ternary Lipid Mixtures as Simple Interior Stratum Corneum Models. Journal of Physical Chemistry B. 122, 2757-2768 (2018). doi:10.1021/acs.jpcb.8b00348
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  25. Florian Thuillet, Patrick Michel, Clara Maurel, Ronald-Louis Ballouz, Yun Zhang, Derek C. Richardson, Jens Biele, Eri Tatsumi, Seiji Sugita. Numerical modeling of lander interaction with a low-gravity asteroid regolith surface. Application to MASCOT on board Hayabusa2. Astron. Astrophys., 615, A41. doi:10.1051/0004-6361/201832779
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  28. Gregory S. Custer, Hongcheng Xu, Silvina Matysiak, and Payel Das. How hydrophobic hydration destabilizes surfactant micelle at low temperature: A coarse-grained simulation study. Langmuir , 34, 12590-12599 (2018). doi:10.1021/acs.langmuir.8b01994
  29. Hao He, Xin-Zhong Liang, Donald J. Wuebbles. Effects of emissions change, climate change and long-range transport on regional modeling of future U.S. particulate matter pollution and speciation. Atmospheric Environment Volume 179, April 2018, Pages 166-176. doi:10.1016/j.atmosenv.2018.02.020
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  31. He, Y.; SUN, C.; Liang, X. Z.; Jaiswal, D.; Long, S.. 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.
  32. Iii, L & Li, Yaokun & Ding, Yi & Liu, Jianan & Reading, Benjamin & Fuller, Adam & Song, Jiuzhou. DNA methylation profiles correlated to striped bass sperm fertility. BMC genomics. 19. 244. doi:10.1186/s12864-018-4548-6
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  36. Jain, N.. Assessment of Turbulence Length Scales in Hybrid RANS-LES Methods. Doctoral Dissertation, Department of Aerospace Engineering, University of Maryland, 2018. doi:10.13016/M2RJ48W6C
  37. Jiang, R.; Liang, X. Z.; Sun, C.. Evaluation of Planetary Boundary Layer Parameterizations for U.S. Climate Simulation. AGU Fall Meeting. 2018.
  38. João Marcelo Lamim Ribeiro, Pablo Bravo, Yihang Wang, and Pratyush Tiwary. Reweighted autoencoded variational Bayes for enhanced sampling (RAVE). J. Chem. Phys. 149, 072301 (2018). doi:10.1063/1.5025487
  39. João Marcelo Lamim Ribeiro, Sun-Ting Tsai, Debabrata Pramanik, and Yihang Wang, Pratyush Tiwary. Kinetics of Ligand-Protein Dissociation from All-Atom Simulations: Are We There Yet?. Biochemistr 201a, 58, 3, 156-165. doi:10.1021/acs.biochem.8b00977
  40. Jude, D., Lee, B., Jung, Y. S., Petermann, J., Govindarajan, B., and Baeder, J.. Application of a Heterogeneous CFD Framework Towards Simulating Complete Rotorcraft Configurations. 74th Annual Forum of the American Helicopter Society, Phoenix, Arizona, May 14-17, 2018.
  41. Keith B. Sutyak, Wes Lee, Dr. Peter V. Zavalij, Prof. Osvaldo Gutierrez, Prof. Jeffery T. Davis. Templating and Catalyzing [2+2] Photocycloaddition in Solution Using a Dynamic G‐Quadruplex. Angewandte Chemie, Vol. 57 Iss. 52, 2018, 17146-17150. doi:10.1002/anie.201811202
  42. Kwon, Y., B. A. Forman, Y. Yoon, and S. Kumar. Feasibility of a microwave brightness temperature data assimilation framework using the NASA Land Information System and a well-trained support vector machine to improve snow water equivalent estimates over High Mountain Asia. 75th Eastern Snow Conference, College Park, Maryland, United States, 2018.
  43. Kwon, Y., Y. Yoon, L. Wang, B. A. Forman, and S. Kumar. Synthetic study of space- borne LiDAR snow depth retrieval assimilation within the NASA Land Information System. American Geophysical Union Annual Meeting, Washington, D.C., United States, 2018.
  44. Lei Liu, Wes Lee, Mingbin Yuan & Osvaldo Gutierrez. Mechanisms of Bisphosphine Iron-Catalyzed C(SP2)-C(SP3) Cross-Coupling Reactions: Inner-Sphere or Outer-Sphere Arylation?. Comments on Inorganic Chemistry, 38:6, 210-237. doi:10.1080/02603594.2018.1539392
  45. Lidiya Gavrilenko and Jeffery B. Klauda. Aggregation of Modified Hexabenzocoronenes as Models for early-stage Asphaltene Self-Assembly. Molecular Simulation. 44, 992-1003 (2018). doi:10.1080/08927022.2018.1469752
  46. Lingyang Xu, Yanghua He, Yi Ding, George E. Liu, Huanmin Zhang, Hans H. Cheng, Robert L. Taylor Jr. and Jiuzhou Song. Genetic assessment of inbred chicken lines indicates genomic signatures of resistance to Marek’s disease. J. Anim. Sci. and Biotech. 9:65 (2018). doi:10.1186/s40104-018-0281-x
  47. Liu, L., S. Parkinson, M. Gidden, E. Byers, Y. Satoh, K. Riahi, and B. A. Forman. Quantifying impacts of climate change and competing land-use on the potential for reservoirs to secure surface water yields in the world's largest river basins. Environmental Research Letters, 13(4), 2018. doi:10.1088/1748-9326/aab2b5/meta
  48. Loomis, B., S. Richey, S. Kumar, B. A. Forman, A. Arendt, R. Appana, S. B. Luthcke, and T. J. Sabaka. Comparison and validation of High Mountain Asia land surface and groundwater storage models using GRACE mascon resolution operators. American Geophysical Union Annual Meeting, Washington, D.C., United States, 2018.
  49. Lu, Y., Ballouz, R.-L., Richardson, D.C.. Exploring Shear Free Ringlet Formation with Direct Simulations of Saturn's B rings.. Astronomical Journal, 156, 129. 2018. doi:10.3847/1538-3881/aad688
  50. Mark Adams, Eric Wang, Xiaohong Zhuang, and Jeffery B. Klauda. Simulations of Simple Bovine and Homo sapiens Outer Cortex Ocular Lens Membrane Models with a Majority Concentration of Cholesterol. Biochimica et Biophysica Acta-Biomembranes. 1860: 2134-2144 (2018). doi:10.1016/j.bbamem.2017.11.010
  51. María Jesús Cabrera-Afonso, Zhi-Peng Lu, Christopher B. Kelly, Simon B. Lang, Ryan Dykstra, Osvaldo Gutierrez and Gary A. Molander. Engaging sulfinate salts via Ni/photoredox dual catalysis enables facile Csp2SO2R coupling. Chem. Sci., 2018,9, 3186-3191. doi:10.1039/c7sc05402e
  52. May JP, Yuan X, Sawicki E, Simon AE. RNA virus evasion of nonsense-mediated decay.. PLoS Pathog 14(11): e1007459. doi:10.1371/journal.ppat.1007459
  53. Nannan Qin and Da-Lin Zhang. On the extraordinary intensification of Hurricane Patricia (2015). Part I: Numerical experiments. Weather and Forecasting, 33: 1205-1224 (2018). doi:10.1175/WAF-D-18-0045.1
  54. Nicholas B. Guros, Arvind K. Balijepalli, Jeffery B. Klauda. The Role of Lipid Interactions in Accurate Simulations of the alpha-hemolysin Transporter. Biophysical Journal. 115, 1720-1730 (2018). doi:10.1016/j.bpj.2018.09.009
  55. Nolan, A.M.,Zhu, Y.,He, X.,Bai, Q.,Mo, Y.. Computation-Accelerated Design of Materials and Interfaces for All-Solid-State Lithium-Ion Batteries. Joule, 20 Sept 2018. doi:10.1016/j.joule.2018.08.017
  56. Park, J. and B. A. Forman. Towards the Assimilation of C-band Synthetic Aperture Radar (SAR) Backscatter Observations Over Snow-covered Terrain. 75th Eastern Snow Conference, College Park, Maryland, United States, 2018.
  57. Park, J., Y. Kwon and B. A. Forman. Prediction of C-band SAR backscatter over snow-covered terrain using machine learning. American Geophysical Union Annual Meeting, Washington, D.C., United States, 2018.
  58. Parth Rakesh Desai and Siddhartha Das. Lubrication in Polymer-brush Bilayers in the Weak Interpenetration Regime: Molecular Dynamics Simulations and Scaling Theories. Physical Review E. 98: 022503 (2018). doi:10.1103/PhysRevE.98.022503
  59. Payel Das, Silvina Matysiak, and Jeetain Mittal. Looking at the disordered proteins through the computational microscope. ACS Central Science, 4, 534-542 (2018). doi:10.1021/acscentsci.7b00626
  60. Pedro S. Volpiani, Matteo Bernardini, and Johan Larsson. Effects of a nonadiabatic wall on supersonic shock/boundary-layer interactions. Phys. Rev. Fluids 3, 083401. doi:10.1103/PhysRevFluids.3.083401
  61. Phelan, James P.; Lang, Simon B.; Compton, Jordan S.; Kelly, Christopher B.; Dykstra, Ryan; Gutierrez, Osvaldo; Molander, Gary A.. Redox-Neutral Photocatalytic Cyclopropanation via Radical/Polar Crossover.. J. Am. Chem. Soc., 2018, 140 (25), pp 8037-8047. doi:10.1021/jacs.8b05243
  62. Pouyan Khakbaz and Jeffery B.Klauda. Investigation of Phase Transitions of Saturated Phosphocholine Lipid Bilayers via Molecular Dynamics Simulations. Biochimica et Biophysica Acta-Biomembranes. 1860, 1489-1501 (2018). doi:10.1016/j.bbamem.2018.04.014
  63. Pratyush Tiwary. 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.
  64. Pratyush Tiwary. 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.
  65. Pratyush Tiwary. Water in Drug Unbinding: Actor, Director or Sidekick? Insights from Predictive All-Atom Simulations. Gordon Research Conference on Water and Aqueous Solutions, New Hampshire.
  66. Qiang Bai, Xingfeng He, Yizhou Zhu, and Yifei Mo. First Principles Study of Oxyhydride H- Ion Conductors: Toward Facile Anion Conduction in Oxide-Based Materials. ACS Applied Energy Materials, 1(4), 1626-1634 (2018). doi:10.1021/acsaem.8b00077
  67. Qiang Bai, Yizhou Zhu, Xingfeng He, Eric Wachsman and Yifei Mo. First Principles Hybrid Functional Study of Small Polarons in Doped SrCeO3 Perovskite: Towards Computation Design of Materials with Tailored Polaron. Ionics, 24(4), 1139-1151 (2018). doi:10.1007/s11581-017-2268-6
  68. Qin, Nannan & Zhang, Da-Lin & Miller, William & Kieu, Chanh. On the rapid intensification of Hurricane Wilma (2005). Part IV: Inner-core dynamics during the steady RMW stage. Quarterly Journal of the Royal Meteorological Society, 144, 2508-2523 (2018). doi:10.1002/qj.3339
  69. Qisheng Zuo, Kai Jin, Jiuzhou Song, Yani Zhang, Guohong Chen & Bichun Li. Interaction of the primordial germ cell-specific protein C2EIP with PTCH2 directs differentiation of embryonic stem cells via HH signaling activation. Cell Death & Disease Vol. 9, Article number: 497 (2018). doi:10.1038/s41419-
  70. Ragul Gowthaman and Brian G Pierce. TCRmodel: high resolution modeling of T cell receptors from sequence. Nucleic Acids Res. 2018 Jul 2; 46(Web Server issue): W396-W401.. doi:10.1093/nar/gky432
  71. Ryan, E., L. Brucker, and B. A. Forman. Exploration into the potential linkage between local fluctuations in passive microwave snow water equivalent (SWE) retrieval and various characteristics of a rain-on-snow (ROS) event. 75th Eastern Snow Conference, College Park, Maryland, United States, 2018.
  72. Sun, Lei, X. Z. Liang, M. Xu, T. Ling, and X. Lee. Evaluation of a multilevel turbulence closure model for shallow lakes against other models.. AGU Fall Meeting. 2018.
  73. Tao, J., R. H. Reichle, R. Koster, B. A. Forman, and Y. Xue. Impacts of vegetation and snowfall on permafrost variability. 75th Eastern Snow Conference, College Park, Maryland, United States, 2018.
  74. Tao, J., R. H. Reichle, R. Koster, B. A. Forman, and Y. Xue. Permafrost variability over the Northern Hemisphere based on the MERRA-2 reanalysis, American Geophysical Union Annual Meeting. Washington, D.C., United States, 2018.
  75. Taylor Myers, Arnaud Trouvé, Andre Marshall. Predicting sprinkler spray dispersion in FireFOAM. Fire Safety J., 100:93-102 (2018). doi:10.1016/j.firesaf.2018.07.008
  76. Viviana Monje-Galvan and Jeffery B. Klauda. Preferred binding mechanism of Osh4’s ALPS motif, insights from molecular dynamics. Journal of Physical Chemistry B. 122, 9713-9723 (2018). doi:10.1021/acs.jpcb.8b07067
  77. Volpiani, Pedro S., Matteo Bernardini, and Johan Larsson. Investigating the effects of non-adiabatic walls on shock/boundary-layer interaction at low Reynolds number using direct numerical simulations. 2018 AIAA Aerospace Sciences Meeting. 2018. doi:10.2514/6.2018-1806
  78. Wang, J., B. A. Forman, M. Girotto, and R. H. Reichle. Year-round Estimation of Terrestrial Water Storage over Snow-Covered Terrain via Multi-sensor Assimilation of GRACE and AMSR-E. 75th Eastern Snow Conference, College Park, Maryland, United States, 2018..
  79. Wang, J., B. A. Forman, M. Girotto, and R. H. Reichle. Year-round estimation of terrestrial water storage in a snow-covered basin through the assimilation of multisensor satellite observations from GRACE and AMSR-E. American Geophysical Union Annual Meeting, Washington, D.C., United States, 2018.
  80. Wang, J., M. Girotto, Y. Xue, R. H. Reichle, and B. A. Forman. Multivariate Data Assimilation Using GRACE and AMSR-E: A Synthetic Study of Snow and Terrestrial Water Storage in the Volga River Basin. GRACE Science Team Meeting, Potsdam, Germany, 2018.
  81. Wang, L., B. A. Forman, Kwon, Y., and S. Kumar. Integration of a Spatiotemporal Sub- sampler for Use in Observing System Simulation Experiments: Linking TAT-C with NASA LIS to Study Snow across Western Colorado. 75th Eastern Snow Conference, College Park, Maryland, United States, 2018.
  82. Wang, L., Kwon, Y. B. A. Forman, J. Le Moigne, S. Nag and S. Kumar. Towards synthetic passive microwave brightness temperature assimilation over snow-covered terrain in Western Colorado. American Geophysical Union Annual Meeting, Washington, D.C., United States, 2018.
  83. Xiao Ji, Ji Chen, Fei Wang, Wei Sun, Yunjun Ruan, Ling Miao, Jianjun Jiang, and Chunsheng Wang. Water-activated VOPO4 for magnesium ion batteries. Nano letters 18, no. 10 (2018): 6441-6448. doi:10.1021/acs.nanolett.8b02854
  84. Xing Yuan, Peng Ji, Linying Wang, Xin‐Zhong Liang, Kun Yang, Aizhong Ye, Zhongbo Su, Jun Wen. 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, 10, 2806–2828 (2018). doi:10.1029/2018MS001412
  85. Xingfeng He, Yizhou Zhu, Alexander Epstein, and Yifei Mo. Statistical Variances of Diffusional Properties from Ab Initio Molecular Dynamics Simulations. NPJ Computational Materials, 4, 18 (2018). doi:10.1038/s41524-018-0074-y
  86. Xiulin Fan, Enyuan Hu, Xiao Ji, Yizhou Zhu, Fudong Han, Sooyeon Hwang, Jue Liu, Seongmin Bak, Zhaohui Ma, Tao Gao, Sz-Chian Liou, Jianming Bai, Xiao-Qing Yang, Yifei Mo, Kang Xu, Dong Su & Chunsheng Wang. High energy-density and reversibility of iron fluoride cathode enabled via an intercalation-extrusion reaction. Nature Communications 9, Article number: 2324 (2018). doi:0.1038/s41467-018-04476-2
  87. Xiulin Fan, Enyuan Hu, Xiao Ji, Yizhou Zhu, Fudong Han, Sooyeon Hwang, Jue Liu, Seongmin Bak, Zhaohui Ma, Tao Gao, Sz-Chian Liou, Jianming Bai, Xiao-Qing Yang, Yifei Mo, Kang Xu, Dong Su and Chunsheng Wang. High energy-density and reversibility of iron fluoride cathode enabled via an intercalation-extrusion reaction. Nature communications 9, no. 1 (2018): 1-12. doi:10.1038/s41467-018-04476-2
  88. Xiulin Fan, Xiao Ji, Fudong Han, Jie Yue, Ji Chen, Long Chen, Tao Deng, Jianjun Jiang and Chunsheng Wang. Fluorinated solid electrolyte interphase enables highly reversible solid-state Li metal battery. Science Advances 4, no. 12 (2018): eaau9245. doi:10.1126/sciadv.aau9245
  89. Xuetian Ma, Adelaide Nolan, Shuo Zhang, Jianming Bai, Wenqian Xu, Lijun Wu, Yifei Mo, Hailong Chen. Guiding Synthesis of Polymorphs of Materials Using Nanometric Phase Diagrams. Journal of the American Chemical Society, 140, 17290-17296 (2018). doi:10.1021/jacs.8b11029
  90. Y. Mo. Computation Accelerated Design of Materials and Interfaces for Solid-State Batteries. 21st International Conference on Ternary and Multinary Compounds, Boulder, CO (09/2018) (Invited).
  91. Y. Mo. 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).
  92. Y. Mo. Understanding Fast Ion Diffusion in Super-Ionic Conductors and Computational Materials Design. MRS Fall meeting, Boston, MA (11/2018) (Invited).
  93. Ya Zhou, Dr. Hanjun Sun, Hongcheng Xu, Prof. Silvina Matysiak, Prof. Jinsong Ren, Prof. Xiaogang Qu. Mesoporous Encapsulated Chiral Nanogold for Use in Enantioselective Reactions. Angew. Chem. ,57, 16791-16795 (2018). doi:10.1002/anie.201811118
  94. Yalun Yu and Jeffery B Klauda. Modeling Pseudomonas Aeruginosa Inner Plasma Membrane in Planktonic and Biofilm Modes. Journal of Chemical Physics. 149, 215102 (2018).
  95. Yan Li, Eugenia Kalnay, Safa Motesharrei, Jorge Rivas, Fred Kucharski, Daniel Kirk-Davidoff, Eviatar Bach, Ning Zeng. Climate model shows large-scale wind and solar farms in the Sahara increase rain and vegetation. Science 07 Sep 2018: Vol. 361, Issue 6406, pp. 1019-1022. doi:10.1126/science.aar5629
  96. Yanan Chen, Yilin Wang, Shuze Zhu, Kun Fu, Xiaogang Han, Yanbin Wang, Bin Zhao, Tian Li, Boyang Liu , Yiju Li, Jiaqi Dai, Hua Xie, Teng Li, John W.Connell, Yi Lin, Liangbing Hu. Nanomanufacturing of graphene nanosheets through nano-hole opening and closing. Materials Today (2018).. doi:10.1016/j.mattod.2018.09.001
  97. Yang, S.J., and Baeder, J.. Blunt-Wavy Combined Trailing Edge for Wind Turbine Blade Inboard Performance Improvement. 2018 J. Phys.: Conf. Ser. 1037, 022004. doi:10.1088/1742-6596/1037/2/022004
  98. Yang, S.J., and Baeder, J.. Blunt-Wavy Combined Trailing Edge for Wind Turbine Blade Inboard Performance Improvement. The Science of Making Torque from Wind 2018, Milano, Italy, June 20-22, 2018.
  99. Yang, Seung Joon & Baeder, James. Aerodynamic and aeroacoustic behavior of span-wise wavy trailing edge modified SNL 100 m blade. Wind Engineering, Vol. 43, No. 1, pp. 4-25, 2018. doi:10.1177/0309524X18818646
  100. Yanghua He, Qisheng Zuo, John Edwards, Keji Zhao, Jinzhi Lei, Wentao Cai, Qing Nie, Bichun Li, Jiuzhou Song. DNA Methylation and Regulatory Elements during Chicken Germline Stem Cell Differentiation. Stem Cell Reports. 2018 Jun 5;10(6):1793-1806. doi:10.1016/j.stemcr.2018.03.018
  101. Yanjun Gan, Xin-Zhong Liang, Qingyun Duan, Aizhong Ye, Zhenhua Di, Yang Hong, Jianduo Li. A systematic assessment and reduction of parametric uncertainties for a distributed hydrological model. Journal of Hydrology Volume 564, September 2018, Pages 697-711. doi:10.1016/j.jhydrol.2018.07.055
  102. Yin, G., B. A. Forman, Loomis, B. D., and S. B. Luthcke. 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.
  103. Yin, G., B. A. Forman, Loomis, B. D., and S. B. Luthcke. 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.
  104. Yong Su Jung and James D. Baeder. RetSA with Crossflow Transition Model using Hamiltonian-Strand Approach. 2018 AIAA SciTech Forum, Orlando, Florida, January 2018.
  105. Yong Wang, Omar Valsson, Pratyush Tiwary, Michele Parrinello, and Kresten Lindorff-Larsen. Frequency adaptive metadynamics for the calculation of rare-event kinetics. The Journal of chemical physics, 149(7), p.072309 (2018). doi:10.1063/1.5024679
  106. Yoon, Y., S. Kumar, Y. Kwon, B. A. Forman, and B. Zaitchik. Assessing the uncertainty in the terrestrial water budgets over High Mountain Asia. American Geophysical Union Annual Meeting, Washington, D.C., United States, 2018.
  107. Yuan Xue, Barton A. Forman, Rolf H. Reichle. 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, 54, Issue 9 (2018) 6488-6509. doi:10.1029/2017wr022219
  108. Yun Zhang, Derek C. Richardson, Olivier S. Barnouin, Patrick Michel, Stephen R. Schwartz, and Ronald-Louis Ballouz. Rotational Failure of Rubble-pile Bodies: Influences of Shear and Cohesive Strengths. Astrophys. J., 857, 15. (2018). doi:10.3847/1538-4357/aab5b2
  109. Zachary Smith, Debabrata Pramanik, Sun-Ting Tsai, and Pratyush Tiwary. Multi-dimensional spectral gap optimization of order parameters (SGOOP) through conditional probability factorization. J. Chem. Phys. 149, 234105 (2018). doi:10.1063/1.5064856

2017

  1. Andrei A. Novikov, Anton P. Semenov, Viviana Monje-Galvan, Vladimir N. Kuryakov, Jeffery B. Klauda, and Mikhail A. Anisimov. Dual Action of Hydrotropes at the Water/Oil Interface. Journal of Physical Chemistry C. 121, 16423-16431 (2017). doi:10.1021/acs.jpcc.7b05156
  2. Bo Han, Yanghua He, Li Zhang, Yi Ding, Ling Lian, Chunfang Zhao, Jiuzhou Song, Ning Yang. Long intergenic non-coding RNA GALMD3 in chicken Marek’s disease. Scientific Reports 7, 10294 (2017). doi:10.1038/s41598-017-10900-2
  3. Carlos Castillo, Soham De, Xintong Han, Bharat Singh, Abhay Kumar Yadav, and Tom Goldstein. Son of Zorn's Lemma: Targetted Style Transfer Using Instance-Aware Semantic Segmentation. ICASSP 2017 - 2017 IEEE International Conference on Acoustics, Speech and Signal Processing (ICASSP). doi:10.1109/ICASSP.2017.7952376
  4. Clara Maurel, Ronald-Louis Ballouz, Derek C. Richardson, Patrick Michel, Stephen R. Schwartz. Numerical simulations of oscillation-driven regolith motion: Brazil-nut effect. Mon. Not. R. Astron. Soc., 464, 2866-2881 (2017). doi:10.1093/mnras/stw2641
  5. Cong Zhang, Mélanie Rochoux, Wei Tang, Michael Gollner, Jean-Baptiste Filippi, Arnaud Trouvé. 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 J., 91:758-767 (2017). doi:10.1016/j.firesaf.2017.03.057
  6. Dianliang Deng, Hong-Bin Fang, Kian Razeghi Jahromi,Jiuzhou Song, and Ming Tan. Detection of Threshold Points for Gene Expressions under Multiple Biological Conditions. Statistics and Its Interface Volume 10 (2017) 643–655.
  7. Eric Link, Taylor Myers, Arnaud Trouvé, Andre Marshall. Measurements of spray-plume interactions for model validation. Fire Safety J., 91:714-722 (2017). doi:10.1016/j.firesaf.2017.04.024
  8. Eric Wang and Jeffery B. Klauda. Examination of Mixtures Containing Sphingomyelin and Cholesterol by Molecular Dynamics Simulations. Journal of Physical Chemistry B. 121, 4833-4844 (2017). doi:10.1021/acs.jpcb.7b01832
  9. Eric Wang and Jeffery B. Klauda. Molecular Dynamics Simulations of Ceramide and Ceramide-Phosphatidylcholine Bilayer Mixtures. Journal of Physical Chemistry B. 121, 10091-10104 (2017). doi:10.1021/acs.jpcb.7b08967
  10. Escobar, D., Sinotte, T., Oas, P., Lee, B., Mills, B., Jude, D., and Craig, W.. Elysium: 24 Hour Hovering Machine Conceptual Design. 24th Annual AHS International Student Design Competition, 2017.
  11. Fenggong Wang, Roman V. Tsyshevsky, Anton Zverev, Anatoly Mitrofanov, and Maija M. Kuklja. Can a photosensitive oxide catalyze decomposition of energetic materials?. J. Phys. Chem. C, 2017, 121 (2), pp 1153-1161. doi:10.1021/acs.jpcc.6b10127
  12. Fengxue Qiao and Xin-Zhong Liang. Effects of cumulus parameterization closures on simulations of summer precipitation over the continental United States. Clim Dyn 49, 225–247 (2017). doi:10.1007/s00382-016-3338-6
  13. Forman, B. A., S. Kumar, J. Le Moigne, and S. Nag. Towards the development of a global, satellite-based, terrestrial snow mission planning tool. 74th Eastern Snow Conference, Ottawa, Ontario, Canada, 2017.
  14. Gao, Xin. Whole genome shotgun sequencing revealed highly polymorphic genes in Escherichia coli O157:H7 collected from cattle fecal samples. 2nd ASM Conference on Rapid Applied Microbial Next-Generation Sequencing and Bioinformatic Pipelines, October 2017, Washington D.C..
  15. Gao, Xin. Whole genome shotgun sequencing revealed highly polymorphic genes in Escherichia coli O157:H7 collected from cattle fecal samples. 7th Annual FDA foods and Veterinary Medicine Science and Research Conference, October 2017, College Park, Maryland.
  16. Gregory S. Custer, Payel Das, and Silvina Matysiak. Interplay between Conformational Heterogeneity and Hydration in the Folding Landscape of a Designed Three-Helix Bundle. J. Phys. Chem. B, 2017, 121, 2731-2738. doi:10.1021/acs.jpcb.6b12286
  17. Hongcheng Xu and Silvina Matysiak. Effect of pH on chitosan hydrogel polymer network structure. Chem. Comm., 13, 7373-7376 (2017). doi:10.1039/C7CC01826F
  18. Indrani Bera and Jeffery B. Klauda. Molecular Simulations of Mixed Lipid Bilayers with Sphingomyelin, Glycerophospholipids and Cholesterol. Journal of Physical Chemistry B. 121, 5197-5208 (2017). doi:10.1021/acs.jpcb.7b00359
  19. J. P. White, E. D. Link, A. Trouvé, P. B. Sunderland, A. W. Marshall. A general calorimetry framework for measurement of combustion efficiency in a suppressed turbulent line fire. Fire Safety J., 92:164-176 (2017). doi:10.1016/j.firesaf.2017.06.009
  20. J. P. White, S. Vilfayeau, A. W. Marshall, P. B. Sunderland, A. C. Trouvé, and R. J. McDermott. Modeling flame extinction and reignition in large eddy simulations with fast chemistry. Fire Safety J., 90:72-85 (2017). doi:10.1016/j.firesaf.2017.04.023
  21. James Cooper, Yi Ding, Jiuzhou Song, Keji Zhao. Genome-wide mapping of DNasehypersensitive sites in rare cell populations using single cell DNase sequencing. Nature Protocol 12(11):2342-2354 (2017). doi:10.1038/nprot.2017.099
  22. James P. White, Salman Verma, Elizabeth Keller, Ailing Hao, Arnaud Trouvé, André W. Marshall. Water mist suppression of a turbulent line fire. Fire Safety J., 91:705-713 (2017). doi:10.1016/j.firesaf.2017.03.014
  23. Jing Tao, Rolf H. Reichle, Randal D. Koster, Barton A. Forman, and Yuan Xue. Evaluation and enhancement of permafrost modeling with the NASA Catchment Land Surface Model. Journal of Advances in Modeling Earth Systems, 9, 7, pp2771-2795. doi:10.1002/2017MS001019
  24. Jingheng Wang, Gregory Custer, Dorothy Beckett, Silvina Matysiak. Long Distance Modulation of Disorder-to-Order Transitions in Protein Allostery. Biochemistry. 2017 Aug 29;56(34):4478-4488. doi:10.1021/acs.biochem.7b00496
  25. Jung Hoon Shin and Da-Lin Zhang. The impact of moist frontogenesis and tropopause undulation on the intensity, size and structural changes of Hurricane Sandy (2012). Journal of the Atmospheric Sciences, 74: 893-913 (2017). doi:10.1175/JAS-D-15-0362.1
  26. Jung, Y. S., Jude, D., Govindarajan, B., and Baeder, J.. 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.
  27. Jung, Y. S., Jude, D., Govindarajan, B., and Baeder, J.. Wind Turbine Simulations Using CPU/GPU Heterogeneous Computing. 2017 NAWEA Symposium, Ames, Iowa, September 26-29, 2017.
  28. Kun Fu, Yunhui Gong, Boyang Liu, Yizhou Zhu, Shaomao Xu, Yonggang Yao, Wei Luo, Chengwei Wang, Steven D. Lacey, Jiaqi Dai, Yanan Chen, Yifei Mo, Eric D. Wachsman, Liangbing Hu. Toward garnet electrolyte-based Li metal batteries: An ultrathin, highly effective, artificial solid-state electrolyte/metallic Li interface. Science Advances Vol 3 Num 4 07 Apr 2017 : e1601659. doi:10.1126/sciadv.1601659
  29. Lena Trotochaud, Roman Tsyshevsky, Scott Holdren, Kenan Fears, Ashley R. Head, Yi Yu, Osman Karslolu, Sven Pletincx, Bryan Eichhorn, Jeffrey Owrutsky, Jeffrey Long, Michael Zachariah, Maija M. Kuklja, and Hendrik Bluhm. Spectroscopic and Computational Investigation of Room-Temperature Decomposition of a Chemical Warfare Agent Simulant on Polycrystalline Cupric Oxide. Chemistry of Materials 2017 29 (17), 7483-7496. doi:10.1021/acs.chemmater.7b02489
  30. Lingyang Xu, Ryan J Haasl, Jiajie Sun, Yang Zhou, Derek M Bickhart, Junya Li, Jiuzhou Song, Tad S Sonstegard, Curtis P Van Tassell, Harris A Lewin, George E Liu. Systematic profiling of short tandem repeats in the cattle genome. Genome Biol Evol 2017 Jan 1; 9 (1). doi: 10.1093/gbe/evw256
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  32. Liu, L. , M. Hejazi, H. Li, B. A. Forman, and X. Zhang. Vulnerability of US thermoelectric power generation to climate change when incorporating state-level environmental regulations. Nature Energy volume 2, Article number: 17109 (2017). doi:10.1038/nenergy.2017.109
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  34. Matthew A. Conte, William J. Gammerdinger, Kerry L. Bartie, David J. Penman, and Thomas D. Kocher. A high quality assembly of the Nile Tilapia (Oreochromis niloticus) genome reveals the structure of two sex determination regions. BMC Genomics 2017 18:341. doi:10.1186/s12864-017-3723-5
  35. Peng Ji, Xing Yuan, Xin‐Zhong Liang. Do Lateral Flows Matter for the Hyperresolution Land Surface Modeling?. Journal of Geophysical Research: Atmospheres, 122, 12,077– 12,092 (2017). doi:https://doi.org/10.1002/2017JD027366
  36. Peng Zhou, Xintong Han, Vlad I. Morariu and Larry S. Davis. Two-Stream Neural Networks for Tampered Face Detection. IEEE CVPR Workshop on Media Forensics, 2017. doi:10.1109/CVPRW.2017.229
  37. Pratyush Tiwary. Molecular Determinants and Bottlenecks in the Dissociation Dynamics of Biotin-Streptavidin. J. Phys. Chem. B, 2017, 121, 48, 10841-10849.. doi:10.1021/acs.jpcb.7b09510
  38. Qisheng Zuo, Kai Jin, Jiuzhou Song, Yani Zhang, Bichun Li. Cloning, expression pattern analysis, and subcellular localization of Capra hircus SCD1 gene with production of transgenic mice. J Cell Biochem. 2018 Feb;119(2):2240-2247. doi:10.1002/jcb.26386.
  39. Ronald-Louis Ballouz, Derek C. Richardson, and Ryuji Morishima. Numerical Simulations of Saturn’s B Ring: Granular Friction as a Mediator between Self-gravity Wakes and Viscous Overstability. Astron. J., 153, 146. (2017). doi:10.3847/1538-3881/AA60BE
  40. Ryan, E. , L. Brucker, and B. A. Forman. 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.
  41. S. Toosi and J. Larsson. Anisotropic grid-adaptation in large eddy simulations. Comp. & Fluids 156, 146-161, 2017. doi:10.1016/j.compfluid.2017.07.006
  42. S. Vilfayeau, T. Myers, A. W. Marshall, A. Trouvé. Large eddy simulation of suppression of turbulent line fires by base-injected water mist. Proc. Combust. Inst. 36:3287–3295 (2017). doi:10.1016/j.proci.2016.06.058
  43. Sai J. Ganesan, Hongcheng Xu, and Silvina Matysiak. Influence of Monovalent Cation Size on Nanodomain Formation in Anionic-Zwitterionic Mixed Bilayers. J. Phys. Chem. B, 2017, 121, 787-799. doi:10.1021/acs.jpcb.6b10099
  44. Venkataraman Santhanam, Vlad I. Morariu, and Larry S. Davis. Generalized Deep Image to Image Regression. The IEEE Conference on Computer Vision and Pattern Recognition (CVPR) [Spotlight], July 2017.
  45. Viviana Monje-Galvan and Jeffery B. Klauda. Two sterols, two bilayers: insights on membrane structure from molecular dynamics. Molecular Simulation. 43, 1179-1188 (2017). doi:10.1080/08927022.2017.1353690:w
  46. W. S. Cole, K. W. Mahmud, J. D. Sau and I. B. Spielman. Phase transitions and emergent gauge potentials in strongly interacting spin-orbit coupled bosons. APS March Meeting 2017, abstract id. E13.010.
  47. Wei Luo, Yunhui Gong, Yizhou Zhu, Yiju Li, Yonggang Yao, Ying Zhang, Kun Fu, Glenn Pastel, Chuan-Fu Lin, Gary W. Rubloff, Yifei Mo, Eric D. Wachsman, Liangbing Hu. Reducing Interfacial Resistance between Garnet-Structured Solid-State Electrolyte and Li Metal Anode by a Germanium Layer. Adv. Mater. 2017, 29, 1606042. doi:10.1002/adma.201606042
  48. Wes Lee, Jun Zhou, and Osvaldo Gutierrez. Mechanism of Nakamuras Bisphosphine-Iron-Catalyzed Asymmetric C(sp2)C(sp3) Cross-Coupling Reaction: The Role of Spin in Controlling Arylation Pathways. J. Am. Chem. Soc., 2017, 139 (45), pp 16126-16133. doi:10.1021/jacs.7b06377
  49. Xiaogang Han, Yunhui Gong, Kun Fu, Xingfeng He, Gregory T. Hitz, Jiaqi Dai, Alex Pearse, Boyang Liu, Howard Wang, Gary Rubloff, Yifei Mo, Venkataraman Thangadurai, Eric D. Wachsman, Liangbing Hu. Negating Interfacial Impedance in Garnet-Based Solid-State Li-Metal Batteries. Nature Materials 16, 572-579 (2017). doi:10.1038/nmat4821
  50. Xiaohong Zhuang, Anna Ou, and Jeffery B Klauda. Simulations of simple Linoleic acid-containing Lipid Membranes and Models for the Soybean Plasma Membranes. Journal of Chemical Physics. 146, 215103 (2017). doi: 10.1063/1.4983655
  51. Xin-Zhong Liang, You Wu, Robert G. Chambers, Daniel L. Schmoldt, Wei Gao, Chaoshun Liu, Yan-An Liu, Chao Sun, and Jennifer A. Kennedy. Determining climate effects on US total agricultural productivity. PNAS March 21, 2017 114 (12) E2285-E2292. doi:10.1073/pnas.1615922114
  52. Xing-Nuo Li , Clark D Ridge, Eugene P Mazzola, Jianghao Sun, Osvaldo Gutierrez, Arvin Moser, Joseph C DiMartino, Scott A MacDonald, and Pei Chen. Application of a computer-assisted structure elucidation program for the structural determination of a new terpenoid aldehyde with an unusual skeleton. Magn Reson Chem. 2017 Mar;55(3):210-213. doi:10.1002/mrc.4466
  53. Xingfeng He, Yizhou Zhu, Yifei Mo. Origin of Fast Ion Diffusion in Super-Ionic Conductors. Nature communications, 8, 15893 (2017). doi:10.1038/ncomms15893
  54. Xintong Han, Bharat Singh, Vlad I. Morariu and Larry S. Davis. VRFP: On-the-fly Video Retrieval using Web Images and Fast Fisher Vector Products. IEEE Transactions on Multimedia Volume: 19, Issue: 7, July 2017. doi:10.1109/TMM.2017.2671414
  55. Xintong Han, Zuxuan Wu, Yu-Gang Jiang and Larry S. Davis. Learning Fashion Compatibility with Bidirectional LSTMs. Proceedings of the 2017 ACM on Multimedia Conference Pages 1078-1086. doi:10.1145/3123266.3123394
  56. Xiuquan Zhou and Efrain E. Rodriguez. Tetrahedral Transition Metal Chalcogenides as Functional Inorganic Materials. Chem. Mater., 2017, 29 (14), pp 5737-5752. doi:10.1021/acs.chemmater.7b01561
  57. Xu, Lingyang, Ryan J. Haasl, Jiajie Sun, Yang Zhou, Derek M. Bickhart, Junya Li, Jiuzhou Song, Tad S. Sonstegard, Curtis P. Van Tassell, Harris A. Lewin, George E. Liu. Systematic Profiling of Short Tandem Repeats in the Cattle Genome.. Genome Biol Evol. 2017 Jan 1;9(1):20-31. doi:10.1093/gbe/evw256
  58. Xu, Lingyang, Yanghua He, Yi Ding, Guirong Sun, Jose Adrian Carrillo, Yaokun Li, Mona M Ghaly, Li Ma, Huanmin Zhang, George E Liu, Jiuzhou Song. Characterization of copy number variation's potential role in Marek’s Disease. Int. J. Mol. Sci. 2017, 18(5), 1020. doi:10.3390/ijms18051020
  59. Xue, Y. and B. A. Forman. 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.
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  62. Yizhou Zhu, Xingfeng He, Yifei Mo. Strategies Based on Nitride Materials Chemistry to Stabilize Li Metal Anode. Advanced Science, 1600517 (2017). doi:10.1002/advs.201600517
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2016

  1. A. Trettel and J. Larsson. Mean velocity scaling for compressible wall turbulence with heat transfer. Phys. Fluids 28, 026102, 2016. doi:10.1063/1.4942022
  2. Ashley R. Head, Roman Tsyshevsky, Lena Trotochaud, Yi Yu, Line Kyhl, Osman Karslolu, Maija M. Kuklja, and Hendrik Bluhm. Adsorption of Dimethyl Methylphosphonate on MoO3: The Role of Oxygen Vacancies. J. Phys. Chem. C 120 (2016) pp29077-29088. doi:10.1021/acs.jpcc.6b07340
  3. B. Cao, K. W. Mahmud, M. Hafezi. Two coupled nonlinear cavities in a driven-dissipative environment. Phys. Rev. A 94, 063805 (2016). doi:10.1103/PhysRevA.94.063805
  4. Bharat Singh, Michael Jones, Tim Marks, Oncel Tuzel and Ming Shao. A Multi-Stream Bi-Directional Recurrent Neural Network for Fine-Grained Action Detection. 2016 IEEE Conference on Computer Vision and Pattern Recognition (CVPR). doi:10.1109/CVPR.2016.216
  5. Bin Zhang. Assimilation of VIIRS and AVHRR SST L2 Products with the Chesapeake Bay Operational Forecasting System. CICS/UMD Annual Science Conference, UMD, 11/29/2016.
  6. Blake Hartley and Massimo Ricotti. Modelling reionization in a bursty universe. Monthly Notices of the Royal Astronomical Society 462, 1164–1179 (2016). doi:10.1093/mnras/stw1562
  7. Bo Han, Ling Lian, Xin Li, Chunfang Zhao, Lujiang Qu, Changjun Liu, Jiuzhou Song and Ning Yang. Chicken Chicken gga-miR-130a targets HOXA3 and MDFIC and inhibits Marek’s disease lymphoma cell proliferation and migration. Molecular Biology Reports volume 43, pages667–676(2016). doi:10.1007/s11033-016-4002-2
  8. Bo Han, Ling Lian, Xin Li, Chunfang Zhao, Lujiang Qu, Changjun Liu, Jiuzhou Song and Ning Yang. Chicken gga-miR-103-3p Targets CCNE1 and TFDP2 and Inhibits MDCC-MSB1 Cell Migration. G3: Genes, Genomes, Genetics May 1, 2016 vol. 6 no. 5 1277-1285. doi: 10.1534/g3.116.028498
  9. Christopher T. Boughter, Viviana Monje-Galvan, Wonpil Im, and Jeffery B. Klauda. Influence of Cholesterol on Phospholipid Bilayer Structure and Dynamics. Journal of Physical Chemistry B. 120, 11761-11772 (2016). doi:10.1021/acs.jpcb.6b08574
  10. Derek M Bickhart, Lingyang Xu, Jana L Hutchison, John B Cole, Daniel J Null, Steven G Schroeder, Jiuzhou Song, Jose Fernando Garcia, Tad S Sonstegard, Curtis P Van Tassell, Robert D Schnabel, Jeremy F Taylor, Harris A Lewin, George E Liu. Diversity and population-genetic properties of copy number variations and multicopy genes in cattle. DNA Research, Volume 23, Issue 3, June 2016, Pages 253-262. doi:10.1093/dnares/dsw013
  11. Fengxue Qiao and Xin‐Zhong Liang. Effects of cumulus parameterization closures on simulations of summer precipitation over the United States coastal oceans. Journal of Advances in Modeling Earth Systems 8 (2), 764-785 (2016). doi:10.1002/2015MS000621
  12. Forman, B. A., Y. Xue , and J. Wang. 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.
  13. Fudong Han, Yizhou Zhu, Xingfeng He, Yifei Mo, Chunsheng Wang. Electrochemical Stability of Li10GeP2S12 and Li7La3Zr2O12 Solid Electrolytes. Advanced Energy Materials, 6, 1501590 (2016). doi:10.1002/aenm.201501590
  14. Haiqing Zhao, David Winogradoff, Minh Bui, Yamini Dalal, Garegin A Papoian. Promiscuous histone mis-assembly is actively prevented by chaperones. JACS; 2016, 10.1021/jacs.6b05355. doi:10.1021/jacs.6b05355
  15. Hao He, Xin-Zhong Liang, Hang Lei, Donald J. Wuebbles. Future U.S. ozone projections dependence on regional emissions, climate change, long-range transport and differences in modeling design. Atmospheric Environment Volume 128, March 2016, Pages 124-133. doi:10.1016/j.atmosenv.2015.12.064
  16. J. H. Pixley, Pallab Goswami, and S. Das Sarma. Disorder-driven itinerant quantum criticality of three-dimensional massless Dirac fermions. Phys. Rev. B 93, 085103 (2016). doi:10.1103/PhysRevB.93.085103
  17. Joseph Eugene Andrews, Shayandev Sinha, Peter W. Chunga and Siddhartha Das. Wetting Dynamics of a Water Nanodrop on Graphene. Physical Chemistry Chemical Physics. 18: 23482-23493 (2016). doi:10.1039/C6CP01936F
  18. José A. Carrillo, Yanghua He, Yaokun Li, Jianan Liu, Richard A. Erdman, Tad S. Sonstegard and Jiuzhou Song. Integrated metabolomic and transcriptome analyses reveal finishing forage affects metabolic pathways related to beef quality and animal welfare. Sci Rep 6:25948 (2016). doi:10.1038/srep25948
  19. Junli Du, Manlin Li, Zhifa Yuan, Mancai Guo, Jiuzhou Song, Xiaozhen Xie, and Yulin Chen. A decision analysis model for KEGG pathway analysis. BMC Bioinfromatics, 2016 17:407. doi:10.1186/s12859-016-1285-1
  20. K. W. Mahmud, R. Wilson, M. Foss-Feig, M. Hafezi. Driven-dissipative bosons in open boundary and inhomogeneous cavity arrays. APS March Meeting 2016, abstract id. B50.011.
  21. Kai He, Sen Zhang, Jing Li, Xiqian Yu, Qingping Meng, Yizhou Zhu, Enyuan Hu, Ke Sun, Hongseok Yun, Xiao-Qing Yang, Yimei Zhu, Hong Gan, Yifei Mo, Eric A. Stach, Christopher B. Murray, and Dong Sub. Visualizing Nonequilibrium Lithiation of Spinel Oxide via In Situ Transmission Electron Microscopy. Nature Communications, 7, 11441 (2016). doi:10.1038/ncomms11441
  22. Ke Fang and M. Coleman Miller. A New Method for Finding Point Sources in High-energy Neutrino Data. The Astrophysical Journal 826, 102 (2016). doi:10.3847/0004-637X/826/2/102
  23. Ke Fang, Kumiko Kotera, M. Coleman Miller, Kohta Murase, and Foteini Oikonomoue. Identifying ultrahigh-energy cosmic-ray accelerators with future ultrahigh-energy neutrino detectors. Journal of Cosmology and Astroparticle Physics 12(2017)017. doi:10.1088/1475-7516/2016/12/017
  24. Keck ZY, Wang Y, Lau P, Lund G, Rangarajan S, Fauvelle C, Liao GC, Holtsberg FW, Warfield KL, Aman MJ, Pierce BG, Fuerst TR, Bailey JR, Baumert TF, Mariuzza RA, Kneteman NM, Foung SK. Affinity maturation of a broadly neutralizing human monoclonal antibody that prevents acute hepatitis C virus infection in mice. Hepatology. 2016 Dec;64(6):1922-1933. doi:10.1002/hep.28850
  25. Konstantin Popov, James Komianos, Garegin A. Papoian. MEDYAN: Mechanochemical Simulations of Contraction and Polarity Alignment in Actomyosin Networks. PLoS Comp Bio; 2016, doi:10.1371/journal.pcbi.1004877. doi:10.1371/journal.pcbi.1004877
  26. Ligang Chen, Xin-Zhong Liang, David DeWitt, Arthur N. Samel and Julian X. L. Wang. Simulation of seasonal US precipitation and temperature by the nested CWRF-ECHAM system. Climate Dynamics volume 46, pages879–896(2016). doi:10.1007/s00382-015-2619-9
  27. Lingyang Xu, Yali Hou, Derek M. Bickhart, Yang Zhou, El Hamidi abdel Hay, Jiuzhou Song, Tad S. Sonstegard, Curtis P. Van Tassell and George E. Liu. Population-genetic properties of differentiated copy number variations in cattle. Sci. Rep. 6, 23161 (2016). doi: 10.1038/srep23161
  28. Massimo Ricotti, Owen H. Parry, and Nickolay Y. Gnedin. A Common Origin for Globular Clusters and Ultra-faint Dwarfs in Simulations of the First Galaxies. The Astrophysical Journal 831 (2016).. doi:10.3847/0004-637X/831/2/204
  29. Maxmore Chaibva, Sudi Jawahery, Albert W Pilkington 4th, James R Arndt, Olivia Sarver, Stephen Valentine, Silvina Matysiak, Justin Legleiter. Acetylation within the first 17 amino acids of huntingtin exon 1 alters aggregation and binding to lipid membranes. Biophys. J., 2016, 111, 349-362. doi:10.1016/j.bpj.2016.06.018
  30. Michael Price, André Marshall and Arnaud Trouvé. A multi-observable approach to address the ill-posed nature of inverse fire modeling problems. Fire Technol. 52:1779-1797 (2016). doi:10.1007/s10694-015-0541-7
  31. Mo, YF. Accelerating Materials Design and Discovery using Computational Approaches. TechConnect World Innovation Conference, DC (05/2016) (Invited).
  32. Mo, YF. 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).
  33. Mo, YF. Design Solid Electrolyte with High Ionic Conductivity and Enhanced Stability using First Principles Computation. ACS Meeting, San Diego, CA (03/2016) (Invited).
  34. Mo, YF. Overcoming Materials Challenges in All-Solid-State Li-ion Batteries: Insights from Computational Modeling. TechConnect World Innovation Conference, DC (05/2016).
  35. Mo, YF. 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).
  36. Mo, YF. Understanding Solid Interfaces in All-Solid-State Li-ion Batteries: Insights from First Principles Computation. ACS Meeting, San Diego, CA (03/2016) (Invited).
  37. Mo, YF. Understanding Solid Interfaces in All-Solid-State Li-ion Batteries: Insights from First Principles Computation. MRS Spring Meeting, Phoenix, AZ (03/2016).
  38. Nannan Qin, Da-Lin Zhang, and Ying Li. A statistical analysis of steady eyewall sizes associated with rapidly intensifying hurricanes. Weather and Forecasting, 31:737-742 (2016). doi:10.1175/WAF-D-16-0016.1
  39. Ning Ren, Yi Wang, Sébastien Vilfayeau, Arnaud Trouvé. Large eddy simulation of turbulent vertical wall fires supplied with gaseous fuel through porous burners. Combust. Flame 169:194-208. (2016). doi:10.1016/j.combustflame.2015.12.008
  40. Pongratz, C., Milke, J.A. and Trouvé, A.. 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).
  41. R. M. Wilson, K. W. Mahmud, A. Hu, A. V. Gorshkov, M. Hafezi, M. Foss-Feig. Collective phases of strongly interacting cavity photons. Phys. Rev. A 94, 033801 (2016). doi:10.1103/PhysRevA.94.033801
  42. Rachael Barton, Pouyan Khakbaz, Indrani Bera, Jeffery B. Klauda, M. Kathryn Iovine, and Bryan W. Berger. Interplay of specific trans- and juxtamembrane interfaces in Plexin A3 dimerization and signal transduction. Biochemistry. 55, 4928-4938 (2016). doi:10.1021/acs.biochem.6b00517
  43. Roman Tsyshevsky, Anton S. Zverev, Anatoly Y. Mitrofanov, Natalya N. Ilyakova, Mikhail V. Kostyanko, Sergey V. Luzgarev, Guzel G. Garifzianova, and Maija M. Kuklja. Role of Hydrogen Abstraction Reaction in Photocatalytic Decomposition of High Energy Density Materials. J. Phys. Chem. C 120 (2016) pp 24835-24846.
  44. S. Vilfayeau, J. P. White, P. B. Sunderland, A. W. Marshall, A. Trouvé. Large eddy simulation of flame extinction in a turbulent line fire exposed to air-nitrogen co-flow. Fire Safety J., 86:16–31. doi:10.1016/j.firesaf.2016.09.003
  45. Sai J. Ganesan, Hongcheng Xu and Silvina Matysiak. Effect of lipid head group interactions on membrane properties and membrane-induced cationic β-hairpin folding. Phys. Chem. Chem. Phys., 2016, 18, 17836-17850. doi:10.1039/C5CP07669B
  46. Sai J. Ganesana and Silvina Matysiak. Interplay between the hydrophobic effect and dipole interactions in peptide aggregation at interfaces. Phys. Chem. Chem. Phys., 2016, 18, 2449-2458. doi:10.1039/C5CP05867H
  47. Shuyan Liu, Julian X.L. Wang, Xin Zhong Liang, Vernon Morris. A hybrid approach to improving the skills of seasonal climate outlook at the regional scale. Climate Dynamics volume 46, pages483–494(2016). doi:10.1007/s00382-015-2594-1
  48. Stephen R. Schwartz, Yang Yu, Patrick Michel, Martin Jutzi. Small-body deflection techniques using spacecraft: techniques in simulating the fate of ejecta. Adv. Space Res., 57, 1832–1846 (2016). doi:10.1016/j.asr.2015.12.042
  49. Tao, J., R. H. Reichle, R. Koster, Y. Xue , and B. A. Forman. Improving thermodynamic representation in permafrost modeling within the NASA Catchment Land Surface Model. American Geophysical Union, Fall General Assembly 2016, abstract id. C22B-02.
  50. Viviana Monje-Galvana and Jeffery B.Klauda. Peripheral Membrane Proteins: Tying the Knot between Experiment and Computation. Biochimica et Biophysica Acta-Biomembranes. 1858, 1584-1593 (2016). doi:10.1016/j.bbamem.2016.02.018
  51. Wang, J. , B. A. Forman, and A. P. Davis. Probabilistic stormwater runoff and water quality modeling in urban Maryland. Journal of Hydrologic Engineering Vol. 23, Issue 2 (February 2018). doi:10.1061/(ASCE)HE.1943-5584.0001600
  52. Wei Luo, Yunhui Gong, Yizhou Zhu, Kun Kelvin Fu, Jiaqi Dai, Steven D. Lacey, Chengwei Wang, Boyang Liu, Xiaogang Han, Yifei Mo, Eric D. Wachsman, and Liangbing Hu. Transition from Super-lithiophobicity to Super-lithiophilicity of Garnet Solid-State Electrolyte. Journal of the American Chemical Society, 138, 12258–12262 (2016). doi:10.1021/jacs.6b06777
  53. Xiaohong Zhuang and Jeffery B.Klauda. Modeling Structural Transitions from the Periplasmic-open State of Lactose Permease and Interpretations of Spin Label Experiments. Biochimica et Biophysica Acta-Biomembranes. 1858, 1541-1552 (2016). doi:10.1016/j.bbamem.2016.04.008
  54. Xiaohong Zhuang, Eder M.Dávila-Contrera, Andrew H.Beaven, Wonpil Im, Jeffery B.Klauda. An Extensive Simulation Study of Lipid Bilayer Properties with Different Head Groups, Acyl Chain Lengths, and Chain Saturations. Biochimica et Biophysica Acta-Biomembranes. 1858, 3093-3104 (2016). doi:10.1016/j.bbamem.2016.09.016
  55. Xiuquan Zhou, Brandon Wilfong, Hector Vivanco, Johnpierre Paglione, Craig M. Brown, and Efrain E. Rodriguez. Metastable Layered Cobalt Chalcogenides from Topochemical Deintercalation. ournal of the American Chemical Society 2016 138 (50), 16432-16442. doi:10.1021/jacs.6b10229
  56. Xue, Y. and B. A. Forman. Atmospheric and forest decoupling from passive microwave brightness temperature observations over snow-covered terrain in North America. IEEE Journal of Selected Topics in Applied Earth Observations and Remote Sensing PP(99):01-18 October 2016.. doi:10.1109/JSTARS.2016.2614158
  57. Xue, Y. and B. A. Forman. 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.
  58. Yanghua He, Minyan Song, Yi Zhang, Xizhi Li, Jiuzhou Song, Yuan Zhang, and Ying Yu. Whole-genome regulation analysis of histone H3 lysin 27 trimethylation in subclinical mastitis cows infected by Staphylococcus aureus. BMC Genomics 17: 565 (2016). doi:10.1186/s12864-016-2947-0

2015

  1. B. A. Forman and Y. Xue. Machine learning predictions of passive microwave brightness temperature over snow-covered land using the Special Sensor Microwave Imager (SSM/I). Physical Geography Vol. 38, Iss. 2, 2017. doi:10.1080/02723646.2016.1236606
  2. Charles W Schwartz, Barton A Forman, and Christopher W Leininger. Alternative source of climate data for mechanistic-empirical pavement performance prediction. Transportation Research Record: Journal of the Transportation Research Board, 2524: 83--91, 2015. doi:10.3141/2524-08
  3. David Winogradoff, Haiqing Zhao, Yamini Dalal, and Garegin A. Papoian. Shearing of the CENP-A dimerization interface mediates plasticity in the octameric centromeric nucleosome. Sci Rep; 2015, 5, 17038 DOI: 10.1038/srep17038. doi:10.1038/srep17038
  4. Dong-Ling Deng, J. H. Pixley, Xiaopeng Li, and S. Das Sarma. Exponential orthogonality catastrophe in single-particle and many-body localized systems. Phys. Rev. B 92, 220201(R) (2015). doi:10.1103/PhysRevB.92.220201
  5. E. Polisensky, and M. Ricotti. Fingerprints of the initial conditions on the density profiles of cold and warm dark matter haloes. Monthly Notices of the Royal Astronomical Society 450, 2172–2184 (2015). doi:10.1093/mnras/stv736
  6. Forman, B. A.. Feasibility of passive microwave brightness temperature assimilation over snow covered land using machine learning. 72nd Eastern Snow Conference, Sherbrooke, Quebec, Canada, 2015.
  7. Forman, B. A.. 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.
  8. J. P. White, E. D. Link, A. C. Trouvé, P. B. Sunderland, A. W. Marshall, J. A. Sheffel, M. L. Corn, M. B. Colket, M. Chaos, H.-Z. Yu. Radiative emissions measurements from a buoyant, turbulent line flame under oxidizer-dilution quenching conditions. Fire Safety J. 76:74-84 (2015). doi:10.1016/j.firesaf.2015.05.003
  9. K. W. Mahmud, R. Wilson, M. Foss-Feig, M. Hafezi. Driven-dissipative bosons in open boundary and inhomogeneous cavity arrays. KITP, Oct 2015, UC Santa Barbara, CA.
  10. Kai He, Feng Lin, Yizhou Zhu, Xiqian Yu, Jing Li, Ruoqian Lin, Dennis Nordlund, Tsu-Chien Weng, Ryan M. Richards, Xiao-Qing Yang, Marca M. Doeff, Eric A. Stach, Yifei Mo, Huolin L. Xin, and Dong Su. Sodiation Kinetics of Metal Oxide Conversion Electrodes: a Comparative Study with Lithiation. Nano Letters, 15, 5755–5763 (2015). doi:10.1021/acs.nanolett.5b01709
  11. Kang, H & J.B. Klauda. Molecular Dynamics Simulations of Palmitoyloleoyl-phosphatidylglycerol Bilayers. Molecular Simulation. 41: 948-954 (2015). doi:10.1080/08927022.2014.926548
  12. M. C. Rochoux, C. Emery, S. Ricci, B. Cuenot, A. Trouve. 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. Nat. Hazards Earth Syst. Sci. 15:1721-1739 (2015). doi:10.5194/nhess-15-1721-2015
  13. Mark Z. Ma, Ruxian Lin, José Carrillo, Manisha Bhutani, Ashutosh Pathak, Hening Ren, Yaokun Li, Jiuzhou Song, and Li Maoa. ΔDNMT3B4-del Contributes to Aberrant DNA Methylation Patterns in Lung Tumorigenesis. EBioMedicine. 2015 Oct; 2(10): 1340–1350. doi: 10.1016/j.ebiom.2015.09.002
  14. Michael McCutchen, Lang G. Chen, Harry Bermudez, and Silvina Matysiak. The Interplay of Dynamical Properties Between Ionic Liquids and Ionic Surfactants: Mechanism and Aggregation. J. Phys. Chem. B, 2015, 119 (30), pp 9925–9932. doi:10.1021/acs.jpcb.5b05151
  15. Paul G. Arias, Vivien R. Lecoustre, Somesh Roy, Zhaoyu Luo, Daniel C. Haworth, Tianfeng Lu, Arnaud Trouvé and Hong G. Im. Dynamics of flow-soot interaction in wrinkled nonpremixed ethylene-air flames. Combust. Theory Modellin 19:568-586 (2015). doi:10.1080/13647830.2015.1067331 CrossMark Logo
  16. Pouyan Khakbaz and Jeffery B.Klauda. Probing the Importance of Lipid Diversity in Cell Membranes via Molecular Simulation. Chemical Physics of Lipids. 192: 12-22 (2015). doi:10.1016/j.chemphyslip.2015.08.003
  17. R.-L. Ballouz, D. C. Richardson, P. Michel, S. R. Schwartz, Y. Yu. Numerical simulations of collisional disruption of rotating gravitational aggregates: Dependence on material properties. Planet. Space Sci., 107, 29-35 (2015). doi:10.1016/j.pss.2014.06.003
  18. Ryan M Konas, John L Daristotle, Ndubuisi B Harbor, and Jeffery B Klauda. Biophysical Changes of Lipid Membranes in the Presence of Ethanol at Varying Concentrations. Journal of Physical Chemistry B. 119: 13134-13141 (2015). doi:10.1021/acs.jpcb.5b06066
  19. S. Vilfayeau, N. Ren, Y. Wang, A. Trouvé. Numerical simulation of under-ventilated liquid-fueled compartment fires with flame extinction and thermally-driven fuel evaporation. Proc. Combust. Inst. 35:2563–2571 (2015). doi:10.1016/j.proci.2014.05.072
  20. Scott Lawrence, Justin G. Tervala, Paulo F. Bedaque, Paulo F., and M. Coleman Miller. An Upper Bound on Neutron Star Masses from Models of Short Gamma-Ray Bursts. The Astrophysical Journal, 808, 186 (2015). doi:10.1088/0004-637X/808/2/186
  21. Sriram Ganeshan, J.H. Pixley, and S. Das Sarma. Nearest Neighbor Tight Binding Models with an Exact Mobility Edge in One Dimension. Phys. Rev. Lett. 114, 146601 (2015). doi:10.1103/PhysRevLett.114.146601
  22. Viviana Monje-Galvan and Jeffery B Klauda. Modeling Yeast Organelle Membranes and How Lipid Diversity Influences Bilayer Properties. Biochemistry. 54: 6852-6861 (2015). doi:10.1021/acs.biochem.5b00718
  23. Xiaopeng Li, Sriram Ganeshan, J.H. Pixley, and S. Das Sarma. Many-Body Localization and Quantum Nonergodicity in a Model with a Single-Particle Mobility Edge. Phys. Rev. Lett. 115, 186601 (2015). doi:10.1103/PhysRevLett.115.186601
  24. Xingfeng He and Yifei Mo. Accelerated Materials Design of Na0.5Bi0.5TiO3 Oxygen Ionic Conductors Based on First Principles Calculations. Physical Chemistry Chemical Physics, 17, 18035-18044 (2015). doi:10.1039/C5CP02181B
  25. Xue, Y. , B. A. Forman, and X. Tao. 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.
  26. Xue, Y. and B. A. Forman. 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.
  27. Y. Xue and B. A. Forman. 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 the Environment, 170:153-165, December 2015. doi:10.1016/j.rse.2015.09.009
  28. Yang X, Gao M, Chen G, Pierce BG, Lu J, Weng NP, Mariuzza RA. Structural Basis for Clonal Diversity of the Public T Cell Response to a Dominant Human Cytomegalovirus Epitope. J Biol Chem. 2015 Nov 27;290(48):29106-19. doi:10.1074/jbc.M115.691311
  29. Yizhou Zhu, Xingfeng He, Yifei Mo. First Principles Study on Electrochemical and Chemical Stability of the Solid Electrolyte-Electrode Interfaces in All-Solid-State Li-ion Batteries. Journal of Materials Chemistry A, 4, 3253-3266 (2016). doi:10.1039/c5ta08574h
  30. Yizhou Zhu, Xingfeng He, Yifei Mo. Origin of Outstanding Stability in the Lithium Solid Electrolyte Materials: Insights from Thermodynamic Analyses Based on First-Principles Calculations. ACS Applied Materials & Interfaces, 7, 23685-23693 (2015). doi:10.1021/acsami.5b07517

2014

  1. Bin Zhang. 4DVAR Data Assimilation with Chesapeake Bay Operational Forecasting System. NOAA/NOS/COOPS, Silver Spring, 06/2014.
  2. Bin Zhang, Christopher W. Brown, et al.. Comparison of 4D-VAR and LETKF in Assimilating JPSS-derived Sea-surface Temperature in the Chesapeake Bay Operational Forecasting System. NOAA/NOS/COOPS, 12/04/2015.
  3. Bin Zhang, Matt Hoffman, Lyon Lanerolle, Chris Brown. 4DVAR and LETKF Data Assimilation for the NOAA Chesapeake Bay Operational Forecasting System.. Chesapeake Modeling Symposium, Annapolis, Maryland, 2014.
  4. Bin Zhang, Matt Hoffman, Lyon W. J. Lanerolle, and Christopher W. Brown. 4DVAR and LETKF Data Assimilation for the NOAA Chesapeake Bay Operational Forecasting System. JCSDA Annual Review Meeting, Silver Spring, 05/2014.
  5. Lee, S., A. Tran, M. Allsopp, J.B. Lim, J. Hénin, & J.B. Klauda. CHARMM36 United-Atom Chain Model for Lipids and Surfactants. J. Phys. Chem. B. 118: 547-556 (2014). doi:10.1021/jp410344g
  6. Subramanian, D. J.B. Klauda, and M.A. Anisimov. Mesoscale Phenomena in Ternary Solutions of Tertiary Butyl Alcohol, Water, and Propylene Oxide. J. Phys. Chem. B. 118: 5994-6006 (2014). doi:10.1021/jp4125183
  7. Venable, R.M., A.J. Sodt, B. Rogaski, H. Rui, E. Hatcher, A.D. MacKerell, Jr., R.W. Pastor, and J.B. Klauda. CHARMM All-Atom Additive Force Field for Sphingomyelin: Elucidation of Hydrogen Bonding and of Positive Curvature. Biophys. J. 107: 134-145 (2014). doi:10.1016/j.bpj.2014.05.034
  8. Zhuang, X., J.R. Makover, W. Im, & J.B. Klauda. A Systematic Molecular Dynamics Simulation Study of Temperature Dependent Bilayer Structural Properties. BBA-Biomemb. 1838: 2520-2529 (2014). doi:10.1016/j.bbamem.2014.06.010

2013

  1. F Zhang, XZ Liang, Y Gu, S Su. Cloud-Aerosol-Radiation (CAR) ensemble modeling system: Overall accuracy and efficiency. Adv. Atmos. Sci. (2013) 30: 955. doi:10.1007/s00376-012-2171-z
  2. Longhua Hu and Garegin A. Papoian. Molecular Transport Modulates the Adaptive Response of Branched Actin Networks to an External Force. J. Phys. Chem. B.; 2013, 117, 13388-13396. doi:10.1021/jp405179e
  3. Subramanian, D., C.T. Boughter, J.B. Klauda, B. Hammouda, and M.A. Anisimov. Mesoscale inhomogeneities in aqueous solutions of small amphiphilic molecules. Faraday Discuss. 167: 217-238 (2013).
  4. Subramanian, D., J.B. Klauda, J. Leys, and M.A. Anisimov. Thermodynamic Anomalies and Structural Fluctuations in Aqueous Solutions of Tertiary Butyl Alcohol. Herald of St. Petersburg University (Vestnik) 2013, 4, 139 - 153.
  5. Villanueva, D.Y., J.B. Lim, & J.B. Klauda. Influence of Ester-modified Lipids on Bilayer Structure. Langmuir. 29, 14196-14203 (2013). doi:10.1021/la403919h
  6. XZ Liang, F Zhang. Cloud-Aerosol-Radiation (CAR) ensemble modeling system. Atmos. Chem. Phys., 13, 8335-8364, 2013. doi:10.5194/acp-13-8335-2013

2012

  1. Davit A. Potoyan and Garegin A. Papoian. Regulation of the H4 tail binding and folding landscapes via Lys-16 acetylation. Proc. Natl. Acad. Sci. USA; 2012, 109, 17857-17862. doi:10.1073/pnas.1201805109
  2. Davit A. Potoyan, Pavel I. Zhuravlev and Garegin A. Papoian. Computing Free Energy of a Large-Scale Allosteric Transition in Adenylate Kinase using All Atom Explicit Solvent Simulations. J. Phys. Chem. B.; 2012,116, 1709-1715. doi:10.1021/jp209980b
  3. Ezzeldin, H.M., J.B. Klauda, & S.D. Solares. Modeling of the Major Gas Vesicle Protein, GvpA: from Protein Sequence to Vesicle Wall Structure. J. Struct. Biol. 179, 18-28 (2012). doi:10.1016/j.jsb.2012.04.015
  4. F Zhang, S Su, X Liang. Dominant role of geometric association on cloud radiative forcing. Abstract A51C-0061 presented at 2012 Fall Meeting, AGU, San Francisco, Calif., 3-7 Dec.
  5. Feng Zhang, X. Liang, S. Su, and X. Kang. Cloud-Aerosol-Radiation Ensemble Modeling System (CAR): One Application on Aerosol Climate Effects. 2012 DOE ASR meeting.
  6. Klauda, J.B., V. Monje, T. Kim, and W. Im. Improving the CHARMM Force Field for Polyunsaturated Fatty Acid Chains. J. Phys. Chem. B. 116, 9424-9431 (2012). doi:10.1021/jp304056p
  7. Lim, J.B., B. Rogaski & J.B. Klauda. Update of the Cholesterol Force Field Parameters in CHARMM. J. Phys. Chem. B. 116, 203-210 (2012). doi:10.1021/jp207925m
  8. Pandit, K.R. & J.B. Klauda. Membrane models of E. coli containing cyclic moieties in the aliphatic lipid chain. BBA-Membranes. 1818, 1205-1210. (2012). doi:10.1016/j.bbamem.2012.01.009
  9. Rogaski, B & J.B. Klauda. Membrane-binding Mechanism of a Peripheral Membrane Protein through Microsecond Molecular Dynamics Simulations. J. Mol. Bio. 423, 847-861 (2012). doi:10.1016/j.jmb.2012.08.015

2011

  1. Chen, Hua and Zhang, Da-Lin and Carton, James and Atlas, Robert. On the rapid intensification of Hurricane Wilma (2005). Part I: Model prediction and structural changes.. Weather and Forecasting, 26, 885-901. (2011). doi:10.1175/WAF-D-11-00001.1
  2. F Zhang, X Liang, S Su. Cloud-Aerosol-Radiation Ensemble Modeling System. Abstract A21H-05 presented at 2011 Fall Meeting, AGU, San Francisco, Calif., 5-9 Dec.
  3. Lim, J.B. & J.B. Klauda. Lipid chain branching at the Iso- and Anteiso-Positions in Complex Chlamydia Membranes: A Molecular Dynamics Study. BBA-Membranes. 1808, 323-331 (2011). doi:10.1016/j.bbamem.2010.07.036
  4. O'Connor, J.W & J.B. Klauda. Lipid Membranes with a Majority of Cholesterol: Applications to the Ocular Lens and Aquaporin 0. J. Phys. Chem. B. 115, 6455-5464 (2011). doi:10.1021/jp108650u

2010

  1. Jo, S.H., H. Rui, J.B. Lim, J.B. Klauda, & W. Im. Cholesterol Flip-Flop: Insights from Free Energy Simulation Studies. J. Phys. Chem. B. 114, 13342-13348 (2010). doi:10.1021/jp108166k
  2. Klauda, J.B., R.M. Venable, J.A. Freites, J.W. O'Connor, D.J. Tobias, C. Mondragon-Ramirez, I. Vorobyov, A.D. MacKerell, Jr., & R.W. Pastor. Update of the CHARMM all-atom additive force field for lipids: Validation on six lipid types. J. Phys. Chem. B. 114, 7830-7843 (2010). doi:10.1021/jp101759q
  3. Pendse, P.Y., B.R. Brooks & J.B. Klauda. Probing the Periplasmic-open State of Lactose Permease in Response to Sugar Binding and Proton Translocation. J. Mol. Biol. 404, 506-521 (2010). doi:10.1016/j.jmb.2010.09.045
  4. Rogaski, B., J.B. Lim, & J.B. Klauda. Sterol Binding and Membrane Lipid Attachment to the Osh4 Protein of Yeast. J. Phys. Chem. B. 114, 13562-13573 (2010). doi:10.1021/jp106890e

2009

  1. Jo, S.H., J.B. Lim, J.B. Klauda, & W. Im. CHARMM-GUI Membrane Builder for Mixed Bilayers and Its Application to Yeast Membranes. Biophys. J. 97, 50-58 (2009). doi:10.1016/j.bpj.2009.04.013