Formal derivation of dissipative particle dynamics from first principles

Description

We show that the Markovian approximation assumed in current particle-based coarse-grained techniques, like dissipative particle dynamics, is unreliable in situations in which sound plays an important role. As an example we solve analytically and numerically the dynamics of coarse-grained harmonic systems by using first principle methods, showing the presence of long-lived memory kernels. This effect raises questions about the connection of these approaches at their current form to molecular dynamics.

Abstract

The European Union and the EPSRC

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