Big data meets quantum chemistry approximations: The Δ-machine learning approach

Journal of Chemical Theory and Computation

Volumn 11, Issue 5, 2015, Pages 2087-2096

  Ramakrishnan, Raghunathan ^a   Dral, Pavlo O ^b,c   Rupp, Matthias ^a   Von Lilienfeld, O Anatole ^a,d  

^a UNIVERSITY OF BASEL   (Switzerland)

^b MAX PLANCK INSTITUT FÜR KOHLENFORSCHUNG   (Germany)

^c UNIVERSITY OF ERLANGEN NUREMBERG   (Germany)

^d ARGONNE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

2-ACETYLCYCLOPENTANONE; KETONE;

CHEMISTRY; ELECTRON; ISOMERISM; MACHINE LEARNING; QUANTUM THEORY; THERMODYNAMICS;

ELECTRONS; ISOMERISM; KETONES; MACHINE LEARNING; QUANTUM THEORY; THERMODYNAMICS;

EID: 84929331654     PISSN: 15499618     EISSN: 15499626     Source Type: Journal    
DOI: 10.1021/acs.jctc.5b00099     Document Type: Article

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