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physics.comp-ph2020
Machine learning based non-Newtonian fluid model with molecular fidelity
Huan Lei, Lei Wu, Weinan E
We introduce a machine-learning-based framework for constructing continuum non-Newtonian fluid dynamics model directly from a micro-scale description. Dumbbell polymer solutions ar…
physics.comp-ph2019
Data-driven molecular modeling with the generalized Langevin equation
Francesca Grogan, Huan Lei, Xiantao Li +1
The complexity of molecular dynamics simulations necessitates dimension reduction and coarse-graining techniques to enable tractable computation. The generalized Langevin equation…