Computational Science Laboratory, Icrea, Universitat Pompeu Fabra, Acellera; Computational Science Laboratory, Universitat Pompeu Fabra
Guillem Simeon, Gianni De Fabritiis
Neural network interatomic potentials;Equivariant graph neural network;Message passing neural network
TensorNet: Cartesian Tensor Representations for Efficient Learning of Molecular Potentials