WESTPA 2.0: High-Performance Upgrades for Weighted Ensemble Simulations and Analysis of Longer-Timescale Applications
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
Published in Journal of chemical theory and computation (08.02.2022)
Published in Journal of chemical theory and computation (08.02.2022)
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