Chemical diversity in molecular orbital energy predictions with kernel ridge regression.

Stuke, Annika; Todorovic, Milica; Rupp, Matthias; Kunkel, Christian; Ghosh, Kunal; Himanen, Lauri; Rinke, Patrick

Stuke, Annika; Todorovic, Milica; Rupp, Matthias; Kunkel, Christian; Ghosh, Kunal; Himanen, Lauri; Rinke, Patrick.

Afiliação

Stuke A; Department of Applied Physics, Aalto University, P.O. Box 11100, Aalto FI-00076, Finland.
Todorovic M; Department of Applied Physics, Aalto University, P.O. Box 11100, Aalto FI-00076, Finland.
Rupp M; Fritz Haber Institute of the Max Planck Society, Faradayweg 4-6, 14195 Berlin, Germany.
Kunkel C; Department of Applied Physics, Aalto University, P.O. Box 11100, Aalto FI-00076, Finland.
Ghosh K; Department of Applied Physics, Aalto University, P.O. Box 11100, Aalto FI-00076, Finland.
Himanen L; Department of Applied Physics, Aalto University, P.O. Box 11100, Aalto FI-00076, Finland.
Rinke P; Department of Applied Physics, Aalto University, P.O. Box 11100, Aalto FI-00076, Finland.

J Chem Phys ; 150(20): 204121, 2019 May 28.

Article em En | MEDLINE | ID: mdl-31153160

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Prognostic_studies / Risk_factors_studies Idioma: En Revista: J Chem Phys Ano de publicação: 2019 Tipo de documento: Article País de afiliação: Finlândia

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