Machine Learning Energies of 2 Million Elpasolite (ABC2D6) Crystals

Physical Review Letters

Volumn 117, Issue 13, 2016, Pages

  Faber, Felix A ^a   Lindmaa, Alexander ^b   Von Lilienfeld, O Anatole ^a,c   Armiento, Rickard ^b  

^a UNIVERSITY OF BASEL   (Switzerland)

^b LINKÖPING UNIVERSITY   (Sweden)

^c FREE UNIVERSITY OF BRUSSELS   (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

ARTIFICIAL INTELLIGENCE; CARBON; CHEMICAL BONDS; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; FLUORINE COMPOUNDS; LEARNING SYSTEMS;

ELPASOLITE CRYSTALS; FORMATION ENERGIES; INORGANIC CRYSTAL STRUCTURE DATABASE; MACHINE LEARNING MODELS; MAIN-GROUP ELEMENTS; MEAN ABSOLUTE ERROR; OXIDATION STATE; TRAINING SETS;

CRYSTAL ATOMIC STRUCTURE;

EID: 84991206308     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.117.135502     Document Type: Article

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