Atomistic structure search using local surrogate model.

Rønne, Nikolaj; Christiansen, Mads-Peter V; Slavensky, Andreas Møller; Tang, Zeyuan; Brix, Florian; Pedersen, Mikkel Elkjær; Bisbo, Malthe Kjær; Hammer, Bjørk.

Afiliação

Rønne N; Center for Interstellar Catalysis, Department of Physics and Astronomy, Aarhus University, DK-8000 Aarhus, Denmark.
Christiansen MV; Center for Interstellar Catalysis, Department of Physics and Astronomy, Aarhus University, DK-8000 Aarhus, Denmark.
Slavensky AM; Center for Interstellar Catalysis, Department of Physics and Astronomy, Aarhus University, DK-8000 Aarhus, Denmark.
Tang Z; Center for Interstellar Catalysis, Department of Physics and Astronomy, Aarhus University, DK-8000 Aarhus, Denmark.
Brix F; Center for Interstellar Catalysis, Department of Physics and Astronomy, Aarhus University, DK-8000 Aarhus, Denmark.
Pedersen ME; Center for Interstellar Catalysis, Department of Physics and Astronomy, Aarhus University, DK-8000 Aarhus, Denmark.
Bisbo MK; Center for Interstellar Catalysis, Department of Physics and Astronomy, Aarhus University, DK-8000 Aarhus, Denmark.
Hammer B; Center for Interstellar Catalysis, Department of Physics and Astronomy, Aarhus University, DK-8000 Aarhus, Denmark.

J Chem Phys ; 157(17): 174115, 2022 Nov 07.

Article em En | MEDLINE | ID: mdl-36347689

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2022 Tipo de documento: Article

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2022 Tipo de documento: Article