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Department of Physics and Astronomy, Michigan State University, East Lansing, MI, 48823, 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.
Ferrocene-functionalized COFs smash hydrogen storage targets, offering a cost-effective alternative to precious metal-based materials.
