BranchIP: Learning Adaptive Equivariant Computation for Interatomic Potentials

Excerpt

arXiv:2610.02013v1 Announce Type: new Abstract: Equivariant machine learning interatomic potentials (MLIPs) have revolutionized atomistic modeling, but accurate treatment of complex materials and molecular systems demands expensive models. This limits simulation length- and time-scales, with tensor products a key computational bottleneck. The recent emergence of foundation-scale MLIPs further exacerbates this challenge. We present Branch Interatomic Potential (BranchIP), a single-model framework