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Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States., Center for Nonlinear Studies, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States.
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Injecting curvature information into MLIP training via Hessian-vector products achieves the accuracy of full-Hessian training with >24x speedups, opening the door to more efficient and accurate potential energy surface learning.
