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On-the-Fly Active Learning of Interatomic Potentials for Large-Scale Atomistic Simulations.
Jinnouchi, Ryosuke; Miwa, Kazutoshi; Karsai, Ferenc; Kresse, Georg; Asahi, Ryoji.
Affiliation
  • Jinnouchi R; Toyota Central R&D Laboratories., Inc., Aichi 480-1192, Japan.
  • Miwa K; Toyota Central R&D Laboratories., Inc., Aichi 480-1192, Japan.
  • Karsai F; VASP Software GmbH, Sensengasse 8/16, 1090 Vienna, Austria.
  • Kresse G; Computational Materials Physics, Faculty of Physics, University of Vienna, Sensengasse 8/12, 1090 Vienna, Austria.
  • Asahi R; Toyota Central R&D Laboratories., Inc., Aichi 480-1192, Japan.
J Phys Chem Lett ; 11(17): 6946-6955, 2020 Sep 03.
Article in En | MEDLINE | ID: mdl-32787192
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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: J Phys Chem Lett Year: 2020 Document type: Article Affiliation country: Japan Country of publication: United States
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Add to My VHL
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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: J Phys Chem Lett Year: 2020 Document type: Article Affiliation country: Japan Country of publication: United States