304 citations · 1.4k across the 15 of their papers we have counts for
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stat.ML2022★ 304 cited
MACE: Higher Order Equivariant Message Passing Neural Networks for Fast and Accurate Force Fields
Ilyes Batatia, Dávid Péter Kovács, Gregor N. C. Simm +2
Creating fast and accurate force fields is a long-standing challenge in computational chemistry and materials science. Recently, several equivariant message passing neural networks…
stat.ML2022★ 103 cited
The Design Space of E(3)-Equivariant Atom-Centered Interatomic Potentials
Ilyes Batatia, Simon Batzner, Dávid Péter Kovács +6
The rapid progress of machine learning interatomic potentials over the past couple of years produced a number of new architectures. Particularly notable among these are the Atomic…