77 citations · 178 across the 4 of their papers we have counts for
4 papers
Crystal Nucleation Kinetics and Mechanism: Influence of Interaction Potential
Porhouy Minh, Steven W. Hall, Ryan S. DeFever +1
Modulating liquid-to-solid transitions and the resulting crystalline structure for tailored properties is much desired. Colloidal systems are exemplary to this end, but the fundame…
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…
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…
Suppression of Sub-surface Freezing in Free-Standing Thin Films of a Coarse-grained Model of Water
Amir Haji-Akbari, Ryan S. DeFever, Sapna Sarupria +1
Freezing in the vicinity of water-vapor interfaces is of considerable interest to a wide range of disciplines, most notably the atmospheric sciences. In this work, we use molecular…