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Preface: Special Topic on Enhanced Sampling for Molecular Systems.

Alessandro LaioAthanassios Z PanagiotopoulosDaniel M Zuckerman
Published in: The Journal of chemical physics (2018)
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.
Keyphrases
  • molecular dynamics
  • monte carlo
  • single molecule