Abstract
We introduce a method for determining the functional form of the stochastic anddissipative interactions in a dissipative particle dynamics (DPD) model from projectedphase space trajectories. The DPD model is viewed as a coarse graining of a detaileddynamics that displays a clear timescale separation. Based on the Mori–Zwanzig projectionoperator method we derive a consistency equation for the stochastic interaction in DPD.The consistency equation can be solved by an iterative bootstrapping procedure.Combined with standard techniques for estimating the conservative interaction, ourmethod makes it possible to reconstruct all the forces in a coarse-grained DPDmodel. We demonstrate how the method works by recreating the interactionsin a DPD model from its phase space trajectory. Furthermore, we discuss howour method can be used in realistic systems with finite timescale separation.
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