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