The Journal of chemical physics
Representing spherical tensors with scalar-based machine-learning models.
M Domina, F Bigi, P Pegolo, M Ceriotti
Published: 202510.1063/5.0284802
Abstract
Rotational symmetry plays a central role in physics, providing an elegant framework to describe how the properties of 3D objects-from atoms to the macroscopic scale-transform under the action of rigid rotations. Equivariant models of 3D point clouds…
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