Molecular Simulations with a Pretrained Neural Network and Universal Pairwise Force Fields
A
Adil Kabylda
(Department of Physics and Materials Science)
J
J. Thorben Frank
(Machine Learning Group)
S
Sergio Suárez-Dou
(Department of Physics and Materials Science)
A
Almaz Khabibrakhmanov
L
Leonardo Medrano Sandonas
(Institute for Materials Science and Max Bergmann Center of Biomaterials)
O
Oliver T. Unke
(Google DeepMind)
S
Stefan Chmiela
(Machine Learning Group)
K
Klaus-Robert Müller
A
Alexandre Tkatchenko
Article Details
Volume / Issue
Vol. 147, Issue 37
Published
September 17, 2025
Pages
33723-33734
ISSN
0002-7863
Publisher
American Chemical Society
Journal Info
Journal of the American Chemical Society
American Chemical Society
ISSN: 0002-7863 Physical Sciences
Authors (9)
A
Adil Kabylda
Department of Physics and Materials Science
J
J. Thorben Frank
Machine Learning Group
S
Sergio Suárez-Dou
Department of Physics and Materials Science
A
Almaz Khabibrakhmanov
L
Leonardo Medrano Sandonas
Institute for Materials Science and Max Bergmann Center of Biomaterials
O
Oliver T. Unke
Google DeepMind
S
Stefan Chmiela
Machine Learning Group
K
Klaus-Robert Müller
A
Alexandre Tkatchenko
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