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  Guest Editorial: Special Topic on Data-Enabled Theoretical Chemistry

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

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Item Permalink: https://hdl.handle.net/21.11116/0000-0001-767A-2 Version Permalink: https://hdl.handle.net/21.11116/0000-0001-ACD7-B
Genre: Journal Article

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1806.02690.pdf (Preprint), 416KB
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 Creators:
Rupp, Matthias1, Author           
von Lilienfeld, O. Anatole2, Author
Burke, Kieron3, Author
Affiliations:
1Theory, Fritz Haber Institute, Max Planck Society, ou_634547              
2Department of Chemistry, Institute of Physical Chemistry and National Center for Computational Design and Discovery of Novel Materials, University of Basel, 4056 Basel, Switzerland, ou_persistent22              
3Departments of Chemistry and of Physics, University of California, Irvine, CA 92697, USA, ou_persistent22              

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Free keywords: Physics, Chemical Physics, physics.chem-ph
 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.

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Language(s): eng - English
 Dates: 2018-06-062018-06-112018-06-272018-06-28
 Publication Status: Issued
 Pages: 11
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1063/1.5043213
arXiv: 1806.02690
URI: http://arxiv.org/abs/1806.02690
 Degree: -

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Title: The Journal of Chemical Physics
  Other : J. Chem. Phys.
Source Genre: Journal
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Publ. Info: Woodbury, N.Y. : American Institute of Physics
Pages: - Volume / Issue: 148 (24) Sequence Number: 241401 Start / End Page: - Identifier: ISSN: 0021-9606
CoNE: https://pure.mpg.de/cone/journals/resource/954922836226