A gauge-invariant GNN using Wilson loops as inputs accurately predicts observables and simulates dynamics in Z2 and U(1) lattice gauge models.
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A new general-purpose ACE interatomic potential for niobium is trained on diverse DFT data and validated on phonons, high-pressure behavior, dislocation barriers, and a near-million-atom fracture simulation.
Generalized ML force fields reproduce non-collinear magnetic orders on lattices and predict voltage-driven domain-wall motion in itinerant magnets using extensions to nonequilibrium torques.
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A general-purpose atomic cluster expansion interatomic potential for niobium
A new general-purpose ACE interatomic potential for niobium is trained on diverse DFT data and validated on phonons, high-pressure behavior, dislocation barriers, and a near-million-atom fracture simulation.