Thermodynamic consistency and other challenges in coarse-graining models
Department of Chemistry and Biochemistry and Institute of Theoretical Science, University of Oregon, Eugene, Oregon, USA
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Received: 18 February 2015
Revised: 5 May 2015
Published online: 22 June 2015
This paper presents a critical discussion of coarse-graining models of complex molecular liquids, starting from the Integral Equation Coarse-Graining method (IECG). For liquids of macro- molecules this method allows for the analytical solution of the coarse-graining formalism, including the effective pair potential, and providing in this way a convenient framework to study general issues concerning coarse-graining.
© EDP Sciences, Springer-Verlag, 2015