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03/23/2022
A stochastic Hamiltonian formulation applied to dissipative particle dynamics
In this paper, a stochastic Hamiltonian formulation (SHF) is proposed an...
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03/07/2022
Prediction of transport property via machine learning molecular movements
Molecular dynamics (MD) simulations are increasingly being combined with...
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02/02/2022
MD-GAN with multi-particle input: the machine learning of long-time molecular behavior from short-time MD data
MD-GAN is a machine learning-based method that can evolve part of the sy...
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11/19/2019