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High-throughput assessment of vacancy formation and surface energies of materials using classical force-fields
Choudhary, Kamal, Biacchi, Adam J, Ghosh, Supriyo, Hale, Lucas, Hight Walker, Angela R, Tavazza, FrancescaJournal:
Journal of Physics: Condensed Matter
DOI:
10.1088/1361-648X/aadaff
Date:
August, 2018
File:
PDF, 1.78 MB
2018