A. Bochkarev

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20212026

most citedPerformant implementation of the atomic cluster expansion (PACE): Application to copper and silicon

11 citations · 22 across the 10 of their papers we have counts for

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physics.comp-ph2026

Fast contracted Clebsch--Gordan tensor products for equivariant graph neural networks

Anton Bochkarev, Yury Lysogorskiy, Ralf Drautz

We present an $O (L^{3})$ algorithm for evaluating contracted Clebsch--Gordan tensor products in $O (3)$ -equivariant machine learning potentials at fixed Canonical P…