Exploration vs Convergence Speed in Adaptive-Bias Enhanced Sampling
Author:
Affiliation:
1. Freie Universität Berlin, 14195 Berlin, Germany
2. Italian Institute of Technology, 16163 Genova, Italy
Funder
Schweizerischer Nationalfonds zur F?rderung der Wissenschaftlichen Forschung
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.2c00152
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1. Adaptive umbrella sampling: Self-consistent determination of the non-Boltzmann bias
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4. Rethinking Metadynamics: From Bias Potentials to Probability Distributions
5. Unified Approach to Enhanced Sampling
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