Energy-Renormalization for Achieving Temperature Transferable Coarse-Graining of Polymer Dynamics
Abstract
The bottom-up prediction of the properties of polymeric materials based on molecular dynamics simulation is a major challenge in soft matter physics. Coarse-grained (CG) models are often employed to access greater spatiotemporal scales required for many applications, but these models normally experience significantly altered thermodynamics and highly accelerated dynamics due to the reduced number of degrees of freedom upon coarse-graining. While...
Paper Details
Title
Energy-Renormalization for Achieving Temperature Transferable Coarse-Graining of Polymer Dynamics
Published Date
Nov 1, 2017
Journal
Volume
50
Issue
21
Pages
8787 - 8796
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