Representing potential energy surfaces by high-dimensional neural network potentials

Journal of Physics Condensed Matter

Volumn 26, Issue 18, 2014, Pages

  Behler, J ^a  

^a RUHR UNIVERSITY BOCHUM   (Germany)

Author keywords

interatomic potentials; molecular dynamics; neural networks

Indexed keywords

ATOMS; CALCULATIONS; CHEMICAL ELEMENTS; ELECTRONIC STRUCTURE; INTERFACES (MATERIALS); MOLECULAR DYNAMICS; QUANTUM CHEMISTRY;

ATOMIC CONFIGURATION; COMPUTATIONAL EFFORT; ELECTRONIC STRUCTURE CALCULATIONS; FIRST PRINCIPLES METHOD; INTERATOMIC POTENTIAL; LARGE-SCALE MOLECULAR DYNAMICS; LONG SIMULATION TIME; LOW-DIMENSIONAL SYSTEMS;

NEURAL NETWORKS;

ARTIFICIAL NEURAL NETWORK; PHYSICS; PROCEDURES; QUALITY CONTROL;

NEURAL NETWORKS (COMPUTER); PHYSICS; QUALITY CONTROL;

EID: 84899441459     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/26/18/183001     Document Type: Review

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