2024
Higher-Rank Irreducible Cartesian Tensors for Equivariant Message Passing
Viktor Zaverkin, Francesco Alesiani, Takashi Maruyama, Federico Errica, Henrik Christiansen, Makoto Takamoto +2
NeurIPS 2024poster
The ability to perform fast and accurate atomistic simulations is crucial for advancing the chemical sciences. By learning from high-quality data, machine-learned interatomic potentials achieve accuracy on par with ab initio and first-principles methods at a fraction of their computational cost. The…