Systematic atomic structure datasets for machine learning potentials: Application to defects in magnesium

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Authors: Marvin Poul, Liam Huber,Erik Bitzek, Jörg Neugebauer

Journal title: PHYSICAL REVIEW B

Journal publisher: APS

Published year: 2023

DOI identifier: 10.1103/physrevb.107.104103

ISSN: 2469-9969