MACE-OFF: Short-Range Transferable Machine Learning Force Fields for Organic Molecules

Dávid Péter Kovács, J. Harry Moore, Nicholas J. Browning, Ilyes Batatia, Joshua T. Horton, Yixuan Pu, Venkat Kapil, William C. Witt, Ioan-Bogdan Magdău, Daniel J. Cole, Gábor Csányi

Open source

DOI: 10.1021/jacs.4c07099
Published: 2025-05-19
Container: Journal of the American Chemical Society
Publisher: American Chemical Society (ACS)
Open access: unknown

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Cite this work

BibTeX

@article{allodium:10.1021/jacs.4c07099,
  title = {MACE-OFF: Short-Range Transferable Machine Learning Force Fields for Organic Molecules},
  author = {Dávid Péter Kovács and J. Harry Moore and Nicholas J. Browning and Ilyes Batatia and Joshua T. Horton and Yixuan Pu and Venkat Kapil and William C. Witt and Ioan-Bogdan Magdău and Daniel J. Cole and Gábor Csányi},
  year = {2025},
  journal = {Journal of the American Chemical Society},
  doi = {10.1021/jacs.4c07099},
  url = {https://doi.org/10.1021/jacs.4c07099}
}

RIS

TY  - JOUR
TI  - MACE-OFF: Short-Range Transferable Machine Learning Force Fields for Organic Molecules
AU  - Dávid Péter Kovács
AU  - J. Harry Moore
AU  - Nicholas J. Browning
AU  - Ilyes Batatia
AU  - Joshua T. Horton
AU  - Yixuan Pu
AU  - Venkat Kapil
AU  - William C. Witt
AU  - Ioan-Bogdan Magdău
AU  - Daniel J. Cole
AU  - Gábor Csányi
PY  - 2025
JO  - Journal of the American Chemical Society
DO  - 10.1021/jacs.4c07099
UR  - https://doi.org/10.1021/jacs.4c07099
ER  -

APA

Kovács, D. P., Moore, J. H., Browning, N. J., Batatia, I., Horton, J. T., Pu, Y., Kapil, V., Witt, W. C., Magdău, I., Cole, D. J., & Csányi, G. (2025). MACE-OFF: Short-Range Transferable Machine Learning Force Fields for Organic Molecules. Journal of the American Chemical Society. https://doi.org/10.1021/jacs.4c07099

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crossref · retrieved 2026-09-25T02:42:32.287Z