Stochastic Hessian-vector product matching augments force matching to instill second-order curvature into coarse-grained molecular dynamics potentials, outperforming force matching on slow-mode metrics for 8 of 9 test proteins.
Blue moon sampling, vectorial reaction coordinates, and unbiased constrained dynamics.ChemPhysChem, 6(9):1809–1814
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Hessian Matching for Machine-Learned Coarse-Grained Molecular Dynamics
Stochastic Hessian-vector product matching augments force matching to instill second-order curvature into coarse-grained molecular dynamics potentials, outperforming force matching on slow-mode metrics for 8 of 9 test proteins.