Search Results

• A Two-Fold Structural Classification Method for Determining the Accurate Ensemble of Protein Structures

  Pan Tan, Zuyue Fu, Loukas Petridis, Shuo Qian, Delin You, Dongqing Wei, Jinglai Li, Liang Hong

  2018-12-08

  49044 3520 Pages:1010-1023

• Accelerated Molecular Statics Based on Atomic Inertia Effect

  Fei Shuang, Pan Xiao, Yilong Bai, Fujiu Ke

  2020-07-21

  47842 3251 Pages:1019-1037

• Modeling Dislocations at Different Scales

  Yang Xiang

  2006-01-01

  42257 4259 Pages:383-424

• Modeling Dislocations at Different Scales

  Yang Xiang

  2006-01-01

  216 102 Pages:383-424

• Dynamical Coupling Atomistic and Continuum Simulations

  Guowu Ren, Dier Zhang, Xin-Gao Gong

  2011-10-01

  38503 3946 Pages:1305-1314

• Decomposition of Molecular Motions into Translational, Rotational, and Intramolecular Parts by a Projection Operator Technique

  F. Y. Hansen, H. Taub

  2018-03-24

  37277 4060 Pages:231-246

• Accurate Boundary Conditions for Twin Boundary

  Shaoqiang Tang, Xi Zhu

  2020-12-02

  46121 3330 Pages:399-419

• Deep Potential: A General Representation of a Many-Body Potential Energy Surface

  Jiequn Han, Linfeng Zhang, Roberto Car, E. Weinan

  2018-08-21

  95385 6694 Pages:629-639 Open-access

• First-Principles Calculations of Shocked Fluid Helium in Partially Ionized Region

  Cong Wang, Xian-Tu He, Ping Zhang

  2012-12-01

  39981 3974 Pages:1121-1128