MACE-OFF: Short-Range Transferable Machine Learning Force Fields for Organic Molecules
D
Dávid Péter Kovács
(Engineering Laboratory)
J
J. Harry Moore
(Engineering Laboratory)
N
Nicholas J. Browning
(Swiss National Supercomputing Centre (CSCS))
I
Ilyes Batatia
J
Joshua T. Horton
(School of Natural and Environmental Sciences)
Y
Yixuan Pu
(Department of Physics and Astronomy)
V
Venkat Kapil
W
William C. Witt
(Department of Materials Science and Metallurgy, University of Cambridge, 27 Charles Babbage Road, Cambridge CB3 0FS, U.K.)
I
Ioan-Bogdan Magdău
(School of Natural and Environmental Sciences)
D
Daniel J. Cole
(School of Natural and Environmental Sciences)
G
Gábor Csányi
Article Details
Volume / Issue
Vol. 147, Issue 21
Published
May 28, 2025
Pages
17598-17611
ISSN
0002-7863
Publisher
American Chemical Society
Journal Info
Journal of the American Chemical Society
American Chemical Society
ISSN: 0002-7863 Physical Sciences
Authors (11)
D
Dávid Péter Kovács
Engineering Laboratory
J
J. Harry Moore
Engineering Laboratory
N
Nicholas J. Browning
Swiss National Supercomputing Centre (CSCS)
I
Ilyes Batatia
J
Joshua T. Horton
School of Natural and Environmental Sciences
Y
Yixuan Pu
Department of Physics and Astronomy
V
Venkat Kapil
W
William C. Witt
Department of Materials Science and Metallurgy, University of Cambridge, 27 Charles Babbage Road, Cambridge CB3 0FS, U.K.
I
Ioan-Bogdan Magdău
School of Natural and Environmental Sciences
D
Daniel J. Cole
School of Natural and Environmental Sciences
G
Gábor Csányi
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