Combining Machine Learning and Many-Body Calculations: Coverage-Dependent Adsorption of CO on Rh(111).

Liu, Peitao; Wang, Jiantao; Avargues, Noah; Verdi, Carla; Singraber, Andreas; Karsai, Ferenc; Chen, Xing-Qiu; Kresse, Georg

Liu, Peitao; Wang, Jiantao; Avargues, Noah; Verdi, Carla; Singraber, Andreas; Karsai, Ferenc; Chen, Xing-Qiu; Kresse, Georg.

Afiliação

Liu P; University of Vienna, Faculty of Physics and Center for Computational Materials Science, Kolingasse 14-16, A-1090 Vienna, Austria.
Wang J; Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, 110016 Shenyang, China.
Avargues N; Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, 110016 Shenyang, China.
Verdi C; University of Vienna, Faculty of Physics and Center for Computational Materials Science, Kolingasse 14-16, A-1090 Vienna, Austria.
Singraber A; University of Vienna, Faculty of Physics and Center for Computational Materials Science, Kolingasse 14-16, A-1090 Vienna, Austria.
Karsai F; VASP Software GmbH, Sensengasse 8, A-1090 Vienna, Austria.
Chen XQ; VASP Software GmbH, Sensengasse 8, A-1090 Vienna, Austria.
Kresse G; Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, 110016 Shenyang, China.

Phys Rev Lett ; 130(7): 078001, 2023 Feb 17.

Article em En | MEDLINE | ID: mdl-36867825

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Prognostic_studies Idioma: En Revista: Phys Rev Lett Ano de publicação: 2023 Tipo de documento: Article País de afiliação: Áustria

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