An O(L^3) algorithm computes contracted Clebsch-Gordan tensor products for equivariant ML potentials using a structured angular grid and spherical Poisson bracket to handle parity-odd terms at fixed CP rank.
ACEpotentials.jl: A Julia implementation of the atomic cluster expansion
2 Pith papers cite this work, alongside 39 external citations. Polarity classification is still indexing.
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This perspective article develops a definition of foundational MLIPs and poses six open questions that the authors believe will define future research in machine-learned interatomic potentials.
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Fast contracted Clebsch--Gordan tensor products for equivariant graph neural networks
An O(L^3) algorithm computes contracted Clebsch-Gordan tensor products for equivariant ML potentials using a structured angular grid and spherical Poisson bracket to handle parity-odd terms at fixed CP rank.
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Six Open Questions in Machine-Learned Interatomic Potential Foundation Models
This perspective article develops a definition of foundational MLIPs and poses six open questions that the authors believe will define future research in machine-learned interatomic potentials.