Simulations of theoretically informed coarse grain models of polymeric systems
Abstract
Simulations of theoretically informed coarse grain models, where the interaction energy is given by a functional of the local density, are discussed in the context of polymeric melts. Two different implementations are presented by addressing two examples. The first relies on a grid-based representation of non-bonded interactions and focuses on the concept of density multiplication in
- This article is part of the themed collection: Multiscale Modelling of Soft Matter