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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_1197,
  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.1197},
  url          = {https://doi.org/10.14278/rodare.1197}
}
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Publication date:
October 1, 2021
DOI:
10.14278/rodare.1197

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Version v1.1.0 10.14278/rodare.1294 Oct 1, 2021
Version v1.0.0 10.14278/rodare.1197 Oct 1, 2021
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