A framework for quantifying uncertainty in DFT energy corrections.

Wang, Amanda; Kingsbury, Ryan; McDermott, Matthew; Horton, Matthew; Jain, Anubhav; Ong, Shyue Ping; Dwaraknath, Shyam; Persson, Kristin A

Wang, Amanda; Kingsbury, Ryan; McDermott, Matthew; Horton, Matthew; Jain, Anubhav; Ong, Shyue Ping; Dwaraknath, Shyam; Persson, Kristin A.

Afiliação

Wang A; Department of Materials Science and Engineering, University of California, Berkeley, CA, 94720, USA.
Kingsbury R; Department of Materials Science and Engineering, University of California, Berkeley, CA, 94720, USA.
McDermott M; Department of Materials Science and Engineering, University of California, Berkeley, CA, 94720, USA.
Horton M; Materials Sciences Division, Lawrence Berkeley National Laboratory, 1 Cyclotron Road, Berkeley, CA, 94720, USA.
Jain A; Department of Materials Science and Engineering, University of California, Berkeley, CA, 94720, USA.
Ong SP; Materials Sciences Division, Lawrence Berkeley National Laboratory, 1 Cyclotron Road, Berkeley, CA, 94720, USA.
Dwaraknath S; Materials Sciences Division, Lawrence Berkeley National Laboratory, 1 Cyclotron Road, Berkeley, CA, 94720, USA.
Persson KA; Materials Sciences Division, Lawrence Berkeley National Laboratory, 1 Cyclotron Road, Berkeley, CA, 94720, USA.

Sci Rep ; 11(1): 15496, 2021 Jul 29.

Article em En | MEDLINE | ID: mdl-34326361

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2021 Tipo de documento: Article

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2021 Tipo de documento: Article