Open AccessOptimal data generation for machine learned interatomic potentials
Author(s) -
Connor Allen,
Albert P. Bartók
Publication year - 2022
Publication title -
machine learning science and technology
Language(s) - Uncategorized
Resource type - Journals
ISSN - 2632-2153
DOI - 10.1088/2632-2153/ac9ae7
Subject(s) - interatomic potential , ab initio , workflow , ab initio quantum chemistry methods , computer science , supercell , diagonal , phonon , process (computing) , computational science , algorithm , physics , molecular dynamics , condensed matter physics , quantum mechanics , database , mathematics , geometry , telecommunications , radar , molecule , operating system
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