Achieving DFT accuracy with a machine-learning interatomic potential: Thermomechanics and defects in bcc ferromagnetic iron

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Bibliographic Details
Published in:Physical review materials 2018-01, Vol.2 (1), Article 013808
Main Authors: Dragoni, Daniele, Daff, Thomas D., Csányi, Gábor, Marzari, Nicola
Format: Article
Language:English
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ISSN:2475-9953
2475-9953
DOI:10.1103/PhysRevMaterials.2.013808