Automatic selection of atomic fingerprints and reference configurations for machine-learning potentials

Summary

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Authors: Giulio Imbalzano, Andrea Anelli, Daniele Giofré, Sinja Klees, Jörg Behler, Michele Ceriotti

Journal title: The Journal of Chemical Physics

Journal number: 148/24

Journal publisher: American Institute of Physics

Published year: 2018

Published pages: 241730

DOI identifier: 10.1063/1.5024611

ISSN: 0021-9606