Analytical Method Using a Scaled Hypersphere Search for High-Dimensional Metadynamics Simulations
Author:
Affiliation:
1. Center for Computational Sciences, University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki 305-8577, Japan
Funder
Japan Society for the Promotion of Science
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.0c00010
Reference88 articles.
1. Springer Series in Chemical Physics;Pohorille A.,2007
2. Monte Carlo free energy estimates using non-Boltzmann sampling: Application to the sub-critical Lennard-Jones fluid
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5. String method in collective variables: Minimum free energy paths and isocommittor surfaces
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