Parametrically constrained geometry relaxations for high-throughput materials science

Summary

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Authors: Maja-Olivia Lenz, Thomas A. R. Purcell, David Hicks, Stefano Curtarolo, Matthias Scheffler, Christian Carbogno

Journal title: npj Computational Materials

Journal number: 5/1

Journal publisher: Elsevier

Published year: 2019

DOI identifier: 10.1038/s41524-019-0254-4

ISSN: 2057-3960