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

Autor:	Nico F. A. van der Vegt, Francisco Rodríguez-Ropero, Emiliano Brini, Elena A. Algaer, Chunli Li, Pritam Ganguly
Rok vydání:	2013
Předmět:	Field (physics) Computer science General Chemistry Statistical physics Soft matter Granularity Condensed Matter Physics
Zdroj:	Soft Matter. 9:2108-2119
ISSN:	1744-6848 1744-683X
Popis:	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.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::15f08f71dc0e0ffc22555946c6edc7d0 https://doi.org/10.1039/c2sm27201f Zobrazit plný text záznamu