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

Soft Matter · 2012 · Vol. 9(7) · pp. 2108–2119

Emiliano Brini(Technical University of Darmstadt)Elena A. Algaer(Technical University of Darmstadt)Pritam Ganguly(Technical University of Darmstadt)Chunli Li(Technical University of Darmstadt)F. Rodríguez-Ropero(Technical University of Darmstadt)Nico F. A. van der Vegt✉(Technical University of Darmstadt)

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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.

Material Dynamics and Properties Block Copolymer Self-Assembly Theoretical and Computational PhysicsGranularitySoft matterStatistical physicsComputer scienceField (mathematics)NanotechnologyPhysicsMaterials scienceChemistryMathematics