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Equivariant Cellular Sheaves for Molecular Electronic Structure: Bridging Sheaf Cohomology and E(3)-Equivariant Hamiltonian Learning

This story is from 2026-08-26. It is preserved in the archive; the latest stories are on the live feed.

arXiv:2608.23571v1 Announce Type: new Abstract: Equivariant message-passing networks are the standard model for molecular property and interatomic-potential prediction, and recent work predicts the electronic Hamiltonian itself in an E(3)-equivariant way. Separately, topological deep learning has e…

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  1. 2026-08-26 04:00 · arXiv cs.LG
    Equivariant Cellular Sheaves for Molecular Electronic Structure: Bridging Sheaf Cohomology and E(3)-Equivariant Hamiltonian Learning

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