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physics.comp-ph2022★ 9 cited
Machine learning assisted coarse-grained molecular dynamics modeling of meso-scale interfacial fluids
Pei Ge, Linfeng Zhang, Huan Lei
A hallmark of meso-scale interfacial fluids is the multi-faceted, scale-dependent interfacial energy, which often manifests different characteristics across the molecular and conti…
physics.comp-ph2022★ 18 cited
Data-driven construction of stochastic reduced dynamics encoded with non-Markovian features
Zhiyuan She, Pei Ge, Huan Lei
One important problem in constructing the reduced dynamics of molecular systems is the accurate modeling of the non-Markovian behavior arising from the dynamics of unresolved varia…