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Systematic coarse-graining methods for soft matter simulations - a review

by: Emiliano Brini, Elena A. Algaer, Pritam Ganguly, Chunli Li, Francisco Rodriguez-Ropero, Nico F. A. van der Vegt
Soft Matter, Vol. 9, No. 7. (2013), pp. 2108-2119, doi:10.1039/c2sm27201f  Key: citeulike:11823415

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Abstract

Multiscale modelling of soft matter is an emerging field that has made rapid progress in the past decade. Several methods for systematic coarse-graining of molecular liquids and soft matter systems have been proposed in recent years. Herein, we review these methods and discuss a selected number of applications as well as limitations of the models and remaining challenges in developing representative and transferable pair potentials.


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