Predictions of new AB O 3 perovskite compounds by combining machine learning and density functional theory

Balachandran, Prasanna V.; Emery, Antoine A.; Gubernatis, James E.; Lookman, Turab; Wolverton, Chris; Zunger, Alex

doi:10.1103/PhysRevMaterials.2.043802

Predictions of new $AB O_{3}$ perovskite compounds by combining machine learning and density functional theory

Journal Article · Wed Apr 11 00:00:00 EDT 2018 · Physical Review Materials

DOI:https://doi.org/10.1103/PhysRevMaterials.2.043802· OSTI ID:1432736

Balachandran, Prasanna V.; Emery, Antoine A.; Gubernatis, James E.; Lookman, Turab; Wolverton, Chris; Zunger, Alex

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Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: FG02-07ER46433; SC0010467

OSTI ID:: 1432736

Journal Information:: Physical Review Materials, Journal Name: Physical Review Materials Journal Issue: 4 Vol. 2; ISSN PRMHAR; ISSN 2475-9953

Publisher:: American Physical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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