Enhanced Sampling for Molecular Systems
This special topic highlights recent developments in enhanced sampling methods for molecular-level simulations of chemical and biological systems. These methods are designed to enable more efficient exploration of phase space and extend the time scales that can be explored by simulations. We hope this collection of articles will provide readers with an up-to-date snapshot of some of the most important methods used to address sampling in a broad spectrum of molecular systems.
Guest Editors: Alessandro Laio, Athanassios Z. Panagiotopoulos, and Daniel M. Zuckerman