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Deep learning of dynamically responsive chemical Hamiltonians with semiempirical quantum mechanics.
Zhou, Guoqing; Lubbers, Nicholas; Barros, Kipton; Tretiak, Sergei; Nebgen, Benjamin.
Affiliation
  • Zhou G; Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM 87545.
  • Lubbers N; Center of Nonlinear Studies, Los Alamos National Laboratory, Los Alamos, NM 87545.
  • Barros K; Computer, Computational and Statistical Sciences Division, Los Alamos National Laboratory, Los Alamos, NM 87545.
  • Tretiak S; Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM 87545.
  • Nebgen B; Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM 87545.
Proc Natl Acad Sci U S A ; 119(27): e2120333119, 2022 Jul 05.
Article in En | MEDLINE | ID: mdl-35776544
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Full text: 1 Collection: 01-internacional Database: MEDLINE Type of study: Prognostic_studies Language: En Journal: Proc Natl Acad Sci U S A Year: 2022 Type: Article
Fulltext
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Full text: 1 Collection: 01-internacional Database: MEDLINE Type of study: Prognostic_studies Language: En Journal: Proc Natl Acad Sci U S A Year: 2022 Type: Article