BranchIP: Learning Adaptive Equivariant Computation for Interatomic Potentials
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 fou...
Laura Zichi, Gil Harari, Chuin Wei Tan et al.
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