Reference : Challenges for machine learning force fields in reproducing potential energy surfaces...
Scientific journals : Article
Physical, chemical, mathematical & earth Sciences : Physics
http://hdl.handle.net/10993/49415
Challenges for machine learning force fields in reproducing potential energy surfaces of flexible molecules
English
Vassilev Galindo, Valentin mailto [University of Luxembourg > Faculty of Science, Technology and Medicine (FSTM) > Department of Physics and Materials Science (DPHYMS) >]
Cordeiro Fonseca, Gregory mailto [University of Luxembourg > Faculty of Science, Technology and Medicine (FSTM) > Department of Physics and Materials Science (DPHYMS) >]
Poltavskyi, Igor mailto [University of Luxembourg > Faculty of Science, Technology and Medicine (FSTM) > Department of Physics and Materials Science (DPHYMS) >]
Tkatchenko, Alexandre mailto [University of Luxembourg > Faculty of Science, Technology and Medicine (FSTM) > Department of Physics and Materials Science (DPHYMS) >]
3-Mar-2021
Journal of Chemical Physics
Yes
http://hdl.handle.net/10993/49415
10.1063/5.0038516

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