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Dataset and scripts for A Deep Dive into Machine Learning Density Functional Theory for Materials Science and Chemistry

Fiedler, Lenz; Shah, Karan; Cangi, Attila; Bussmann, Michael

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@misc{fiedler_lenz_2021_1294,
  author       = {Fiedler, Lenz and
                  Shah, Karan and
                  Cangi, Attila and
                  Bussmann, Michael},
  title        = {{Dataset and scripts for A Deep Dive into Machine 
                   Learning Density Functional Theory for Materials
                   Science and Chemistry}},
  month        = oct,
  year         = 2021,
  doi          = {10.14278/rodare.1294},
  url          = {https://doi.org/10.14278/rodare.1294}
}
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Publication date:
October 1, 2021
DOI:
10.14278/rodare.1294

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10.14278/rodare.1294

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Identical to:
https://www.hzdr.de/publications/Publ-33194
Referenced by:
https://www.hzdr.de/publications/Publ-39797, https://www.hzdr.de/publications/Publ-33571
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Versions

Version v1.1.0 10.14278/rodare.1294 Oct 1, 2021
Version v1.0.0 10.14278/rodare.1197 Oct 1, 2021
Cite all versions? You can cite all versions by using the DOI 10.14278/rodare.1196. This DOI represents all versions, and will always resolve to the latest one. Read more.

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Fiedler, Lenz, Shah, Karan, Cangi, Attila, & Bussmann, Michael. (2021). Dataset and scripts for A Deep Dive into Machine Learning Density Functional Theory for Materials Science and Chemistry (Version v1.1.0) [Data set]. Rodare. http://doi.org/10.14278/rodare.1294
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