Machine learning enhanced global optimization by clustering local environments to enable bundled atomic energies

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DOI

Original languageEnglish
Article number134104
JournalJournal of Chemical Physics
Volume149
Number of pages9
ISSN0021-9606
DOIs
Publication statusPublished - 7 Oct 2018

    Research areas

  • GEOMETRY OPTIMIZATION, GENETIC ALGORITHMS, FORCE-FIELDS, APPROXIMATION

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ID: 134470857