array(2) { ["lab"]=> string(4) "1074" ["publication"]=> string(4) "8775" } A critical comparison of neural network potentials for molecular reaction dynamics with exact permutation symmetry - Molecular Reaction Dynamics by Theory | LabXing

Molecular Reaction Dynamics by Theory

简介 Dynamics/Spectroscopy/Kinetics/Mechanisms

大学 重庆大学 / 化学化工学院
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A critical comparison of neural network potentials for molecular reaction dynamics with exact permutation symmetry

2019
期刊 Physical Chemistry Chemical Physics
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Several symmetry strategies have been compared in fitting full dimensional accurate potentials for reactive systems based on a neural network approach.

  • 卷 21
  • 期 19
  • 页码 9672-9682
  • Royal Society of Chemistry (RSC)
  • ISSN: 1463-9076
  • DOI: 10.1039/c8cp06919k
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