Machine Learning-Assisted Discovery of Hidden States in Expanded Free Energy Space
Author:
Affiliation:
1. Department of Chemistry, University of Zurich, Winterthurerstrasse 190, CH-8057 Zürich, Switzerland
Funder
Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung
Universität Zürich
Publisher
American Chemical Society (ACS)
Subject
General Materials Science,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.1c04004
Reference49 articles.
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5. Free energy barriers from biased molecular dynamics simulations
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