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Editorial

Special Topic on Data-Enabled Theoretical Chemistry

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

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Fulltext (public)

1806.02690.pdf
(Preprint), 416KB

1.5043213.pdf
(Publisher version), 597KB

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There is no public supplementary material available
Citation

Rupp, M., von Lilienfeld, O. A., & Burke, K. (2018). Special Topic on Data-Enabled Theoretical Chemistry. The Journal of Chemical Physics, 148(24): 241401. doi:10.1063/1.5043213.


Cite as: http://hdl.handle.net/21.11116/0000-0001-767A-2
Abstract
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.