E(3)-equivariant graph neural networks for data-efficient and accurate interatomic potentials

Simon Batzner, Albert Musaelian, Lixin Sun, Mario Geiger, Jonathan P. Mailoa, Mordechai Kornbluth, Nicola Molinari, Tess E. Smidt, Boris Kozinsky

Open source

DOI
10.1038/s41467-022-29939-5
Published
2022-05-04
Container
Nature Communications
Publisher
Springer Science and Business Media LLC
Open access
unknown

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BibTeX

@article{allodium:10.1038/s41467-022-29939-5,
  title = {E(3)-equivariant graph neural networks for data-efficient and accurate interatomic potentials},
  author = {Simon Batzner and Albert Musaelian and Lixin Sun and Mario Geiger and Jonathan P. Mailoa and Mordechai Kornbluth and Nicola Molinari and Tess E. Smidt and Boris Kozinsky},
  year = {2022},
  journal = {Nature Communications},
  doi = {10.1038/s41467-022-29939-5},
  url = {https://doi.org/10.1038/s41467-022-29939-5}
}

RIS

TY  - JOUR
TI  - E(3)-equivariant graph neural networks for data-efficient and accurate interatomic potentials
AU  - Simon Batzner
AU  - Albert Musaelian
AU  - Lixin Sun
AU  - Mario Geiger
AU  - Jonathan P. Mailoa
AU  - Mordechai Kornbluth
AU  - Nicola Molinari
AU  - Tess E. Smidt
AU  - Boris Kozinsky
PY  - 2022
JO  - Nature Communications
DO  - 10.1038/s41467-022-29939-5
UR  - https://doi.org/10.1038/s41467-022-29939-5
ER  - 

APA

Batzner, S., Musaelian, A., Sun, L., Geiger, M., Mailoa, J. P., Kornbluth, M., Molinari, N., Smidt, T. E., & Kozinsky, B. (2022). E(3)-equivariant graph neural networks for data-efficient and accurate interatomic potentials. Nature Communications. https://doi.org/10.1038/s41467-022-29939-5

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