The study of collective processes by computer simulation of particle models may be protracted because (i) the transformation is intrinsically slow or (ii) a complex free-energy barrier has to be overcome. Using computer simulation of a soft, coarse-grained model for a binary polymer blend or an amphiphilic bilayer membrane we illustrate how both difficulties can be mitigated by a concurrent coupling between the particle-based model and a continuum free-energy functional.

Coupling of particle simulations with a continuum description: Speeding-up collective processes

244th National Meeting (2012)

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