On-the-Fly Machine Learning of Atomic Potential in Density Functional Theory Structure Optimization

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Original languageEnglish
Article number026102
JournalPhysical Review Letters
Volume120
Issue number2
Number of pages5
ISSN0031-9007
DOIs
StatePublished - 12 Jan 2018

    Research areas

  • LOWEST-ENERGY STRUCTURES, GENETIC ALGORITHMS, EVOLUTIONARY ALGORITHMS, GEOMETRY OPTIMIZATION, NEURAL-NETWORKS, GLOBAL MINIMUM, SURFACE, CLUSTERS, SEARCH

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ID: 121279881