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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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Data volume 625.3 MB296.6 MB
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Publication date:
October 1, 2021
DOI:
10.14278/rodare.1197

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10.14278/rodare.1197

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https://www.hzdr.de/publications/Publ-33194
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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
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 v1.0.0) [Data set]. Rodare. http://doi.org/10.14278/rodare.1197
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