E(3)-equivariant graph neural networks for data-efficient and accurate interatomic po... | RTCL.TV
Keywords ###
#equivariantdeep #deeplearning #learninginteratomic #interatomicpotential #acceleratingmolecular #dynamicssimulations #moleculardynamics #RTCLTV #shorts
Article Attribution ###
Title: E(3)-equivariant graph neural networks for data-efficient and accurate interatomic potentials
Authors: Simon Batzner, Albert Musaelian, Lixin Sun, Mario Geiger, Jonathan P. Mailoa, Mordechai Kornbluth, Nicola Molinari, Tess E. Smidt ,and Boris Kozinsky
Publisher: Nature Portfolio
DOI: 10.1038/s41467-022-29939-5
DOAJ URL: https://doaj.org/article/00967ba51d9e...
Source URL: https://doi.org/10.1038/s41467-022-29...
Image Attribution ###
We used stable diffusion to programmatically generate the background images.
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