An entropy-maximization approach to automated training set generation for interatomic potentials
Author:
Affiliation:
1. Department of Chemistry, Clemson University, Clemson, South Carolina 29634, USA
2. Theoretical Division T-1, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA
Funder
U.S. Department of Energy
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/am-pdf/10.1063/5.0013059
Reference34 articles.
1. Computational aspects of many-body potentials
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