Approach to Potential Energy Surfaces by Neural Networks. A review of recent work

International Journal of Quantum Chemistry

Volumn 110, Issue 2, 2010, Pages 432-445

  Latino, Diogo A R S ^a,b   Fartaria, Rui P S ^a   Freitas, Filomena F M ^a   Aires De Sousa, João ^b   Silva Fernandes, Fernando M S ^a  

^a UNIVERSITY OF LISBON   (Portugal)

^b UNIVERSIDADE NOVA DE LISBOA   (Portugal)

Author keywords

Ensembles of feed forward neural networks; Ethanol adsorption on au (111); Potential energy surfaces

Indexed keywords

ANALYTICAL FUNCTIONS; AU(1 1 1 ); CHEMICAL SYSTEMS; ENERGY DATA; ENSEMBLES OF FEED-FORWARD NEURAL NETWORKS; INTERACTION SITE; LENNARD-JONES POTENTIAL; METAL ELECTRODES; MOLECULAR DYNAMICS SIMULATIONS; MONTE CARLO; NON-TRIVIAL TASKS; ORGANIC MOLECULES;

ADSORPTION; COMPUTATIONAL CHEMISTRY; ETHANOL; MOLECULAR DYNAMICS; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; PRECIOUS METALS; QUANTUM CHEMISTRY; SEMICONDUCTOR COUNTERS;

NEURAL NETWORKS;

EID: 75749151737     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.22198     Document Type: Conference Paper

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