27 citations · 27 across the 1 of their papers we have counts for
2 papers
physics.chem-ph2021
Machine Learning Directed Optimization of Classical Molecular Modeling Force Fields
Bridgette J. Befort, Ryan S. DeFever, Garrett M. Tow +2
Accurate force fields are necessary for predictive molecular simulations. However, developing force fields that accurately reproduce experimental properties is challenging. Here, w…
cond-mat.stat-mech2019★ 27 cited
Contour forward flux sampling: Sampling rare events along multiple collective variables
Ryan S. DeFever, Sapna Sarupria
Many rare event transitions involve multiple collective variables (CVs) and the most appropriate combination of CVs is generally unknown a priori. We thus introduce a new method, c…