Finding natures missing ternary oxide compounds using machine learning and density functional theory

Chemistry of Materials

Volumn 22, Issue 12, 2010, Pages 3762-3767

  Hautier, Geoffroy ^a   Fischer, Christopher C ^a   Jain, Anubhav ^a   Mueller, Tim ^a   Ceder, Gerbrand ^a  

^a Massachusetts Institute of Technology Cambridge   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO COMPUTATIONS; COMPUTATIONAL BUDGET; HIGH-THROUGHPUT; MACHINE LEARNING TECHNIQUES; MACHINE-LEARNING; NEW MATERIAL; PROBABILISTIC MODELS; TERNARY OXIDES;

DENSITY FUNCTIONAL THEORY; LEARNING ALGORITHMS; LEARNING SYSTEMS;

CRYSTAL STRUCTURE;

EID: 77953628959     PISSN: 08974756     EISSN: 15205002     Source Type: Journal    
DOI: 10.1021/cm100795d     Document Type: Article

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