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It was a pleasure to work with Jacopo on this.
I thank Lorenzo and Edoardo for their precious help, and
@einsteinberlin.bsky.social, @dfg.de, and BMBF for funding!

1 year ago 1 0 0 0

We just shared our latest work with @cecclementi.bsky.social and @franknoe.bsky.social!
arxiv.org/abs/2502.13797
RANGE addresses the "short-sightedness" of MPNNs via virtual aggregations, boosting the accuracy of MLFFs at long-range with linear time-scaling.
Next-gen force-fields are here! ๐Ÿง ๐Ÿš€

1 year ago 4 0 1 0