Machine learning based energy-free structure predictions of molecules (closed and open-shell), transition states, and solids

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Authors: Lemm, Dominik; von Rudorff, Guido Falk; von Lilienfeld, O. Anatole

Journal title: Nature Communications

Journal publisher: Nature Publishing Group

Published year: 2021

DOI identifier: 10.1038/s41467-021-24525-7

ISSN: 2041-1723