Sampling free energy surfaces as slices by combining umbrella sampling and metadynamics
Author:
Affiliation:
1. Department of Chemistry; Indian Institute of Technology Kanpur; Kanpur 208016 India
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Reference36 articles.
1. Escaping free-energy minima
2. Efficient Exploration of Reactive Potential Energy Surfaces Using Car-Parrinello Molecular Dynamics
3. Metadynamics
4. Metadynamics: a method to simulate rare events and reconstruct the free energy in biophysics, chemistry and material science
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