Improved Sampling of Adaptive Path Collective Variables by Stabilized Extended-System Dynamics
Author:
Affiliation:
1. Chair of Theoretical Chemistry, Department of Chemistry, LMU Munich, Butenandtstr. 5, München D-81377, Germany
2. Max Planck Institute for Solid State Research, Heisenbergstr. 1, Stuttgart D-70569, Germany
Funder
Deutsche Forschungsgemeinschaft
Max-Planck-Gesellschaft
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.3c00938
Reference60 articles.
1. Free Energy Calculations
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