Article (Scientific journals)
Challenges for machine learning force fields in reproducing potential energy surfaces of flexible molecules
VASSILEV GALINDO, Valentin; CORDEIRO FONSECA, Gregory; POLTAVSKYI, Igor et al.
2021In Journal of Chemical Physics
Peer reviewed
 

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Disciplines :
Physics
Author, co-author :
VASSILEV GALINDO, Valentin ;  University of Luxembourg > Faculty of Science, Technology and Medicine (FSTM) > Department of Physics and Materials Science (DPHYMS)
CORDEIRO FONSECA, Gregory ;  University of Luxembourg > Faculty of Science, Technology and Medicine (FSTM) > Department of Physics and Materials Science (DPHYMS)
POLTAVSKYI, Igor  ;  University of Luxembourg > Faculty of Science, Technology and Medicine (FSTM) > Department of Physics and Materials Science (DPHYMS)
TKATCHENKO, Alexandre ;  University of Luxembourg > Faculty of Science, Technology and Medicine (FSTM) > Department of Physics and Materials Science (DPHYMS)
External co-authors :
yes
Language :
English
Title :
Challenges for machine learning force fields in reproducing potential energy surfaces of flexible molecules
Publication date :
03 March 2021
Journal title :
Journal of Chemical Physics
Peer reviewed :
Peer reviewed
Available on ORBilu :
since 10 January 2022

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