WESTPA 2.0: High-Performance Upgrades for Weighted Ensemble Simulations and Analysis of Longer-Timescale Applications
WESTPA 2.0:用于加权集合模拟和长期应用分析的高性能升级
期刊:Journal of Chemical Theory and Computation
影响因子:5.5
doi:10.1021/acs.jctc.1c01154
Russo, John D; Zhang, She; Leung, Jeremy M G; Bogetti, Anthony T; Thompson, Jeff P; DeGrave, Alex J; Torrillo, Paul A; Pratt, A J; Wong, Kim F; Xia, Junchao; Copperman, Jeremy; Adelman, Joshua L; Zwier, Matthew C; LeBard, David N; Zuckerman, Daniel M; Chong, Lillian T