Effective control of the transport coefficients of a coarse-grained liquid and polymer models using the dissipative particle dynamics and Lowe-Andersen equations of motion.

Abstract

The dynamics of coarse-grained models obtained through iterative Boltzmann inversion [J. Comput. Chem., 2003, 24, 1624] is always faster than that of the parent atomistic models. In this work, the dissipative particle dynamics (DPD) and Lowe-Andersen (LA) equations of motion are applied in coarse-grained simulations to slow down the coarse-grained dynamics… (More)
DOI: 10.1039/b817584e

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