Evolutionary Monte Carlo of QM Properties in Chemical Space: Electrolyte Design

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Authors: Konstantin Karandashev, Jan Weinreich, Stefan Heinen, Daniel Jose Arismendi Arrieta, Guido Falk von Rudorff, Kersti Hermansson, and O. Anatole von Lilienfeld

Journal title: J. Chem. Theory Comput.

Journal number: 19 (23)

Journal publisher: American Chemical Society

Published year: 2023

Published pages: 8861–8870

DOI identifier: 10.1021/acs.jctc.3c00822

ISSN: 1549-9626