Tensor-reduced atomic density representations
physics.chem-ph, cond-mat.mtrl-sci, cs.LG
Submitted: 2022-10-02
Updated: 2026-10-13
Code: https://github.com/libatoms/gap
Sources
- Neural Message Passing for Quantum Chemistry
- The Design Space of E(3)-Equivariant Atom-Centered Interatomic Potentials
- MACE: Higher Order Equivariant Message Passing Neural Networks for Fast and Accurate Force Fields
- Experiments with Random Projection
- GPU-Accelerated Approximate Kernel Method for Quantum Machine Learning
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