Special Topic on Data-Enabled Theoretical Chemistry

Rupp, Matthias; von Lilienfeld, O. Anatole; Burke, Kieron

doi:10.1063/1.5043213

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論説

Special Topic on Data-Enabled Theoretical Chemistry

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Rupp, Matthias
Theory, Fritz Haber Institute, Max Planck Society;

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フルテキスト (公開)

1806.02690.pdf
(プレプリント), 416KB

1.5043213.pdf
(出版社版), 597KB

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引用

引用: https://hdl.handle.net/21.11116/0000-0001-767A-2

要旨

An introduction to the current state of the art in data-enabled theoretical chemistry is given. It includes a glossary of relevant machine learning terms, plus a survey of the papers in the Journal of Chemical Physics Special Topic on Data-enabled Theoretical Chemistry.