Transferability of coarse-grained force fields: The polymer case

A key question for all coarse-graining methodologies is the degree of transferability of the resulting force field between various systems and thermodynamic conditions. Here we present a detailed study of the transferability over different thermodynamic states of a coarse-grained (CG) force field de...

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Veröffentlicht in:	The Journal of chemical physics 2008-02, Vol.128 (6), p.064904-064904-11
Hauptverfasser:	Carbone, Paola, Varzaneh, Hossein Ali Karimi, Chen, Xiaoyu, Müller-Plathe, Florian
Format:	Artikel
Sprache:	eng
Schlagworte:	Caprolactam - analogs & derivatives Caprolactam - chemistry Diffusion Models, Chemical Polymers - chemistry Polystyrenes - chemistry Pressure Temperature Thermodynamics
Online-Zugang:	Volltext
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