127 citations · 289 across the 5 of their papers we have counts for
5 papers
Contrastive Learning of Coarse-Grained Force Fields
Xinqiang Ding, Bin Zhang
Coarse-grained models have proven helpful for simulating complex systems over long timescales to provide molecular insights into various processes. Methodologies for systematic par…
Steady-state simulations using weighted ensemble path sampling
Divesh Bhatt, Bin W. Zhang, Daniel M. Zuckerman
We extend the weighted ensemble (WE) path sampling method to perform rigorous statistical sampling for systems at steady state. The straightforward steady-state implementation of W…
Weighted Ensemble Path Sampling for Multiple Reaction Channels
Bin W. Zhang, David Jasnow, Daniel M. Zuckerman
Finding and sampling multiple reaction channels for molecular transitions remains an important challenge in physical chemistry. Here we show that the weighted ensemble (WE) path sa…
The "weighted ensemble" path sampling method is statistically exact for a broad class of stochastic processes and binning procedures
Bin W. Zhang, Daniel M. Zuckerman, David Jasnow
The "weighted ensemble" method, introduced by Huber and Kim, [G. A. Huber and S. Kim, Biophys. J. 70, 97 (1996)], is one of a handful of rigorous approaches to path sampling of rar…
Transition-Event Durations in One Dimensional Activated Processes
Bin W. Zhang, David Jasnow, Daniel M. Zuckerman
Despite their importance in activated processes, transition-event durations -- which are much shorter than first passage times -- have not received a complete theoretical treatment…