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Energy-Renormalization for Achieving Temperature Transferable Coarse-Graining of Polymer Dynamics

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 experi...

Ausführliche Beschreibung

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Bibliographische Detailangaben
Veröffentlicht in:Macromolecules
Hauptverfasser: Xia, Wenjie, Song, Jake, Jeong, Cheol, Hsu, David D., Phelan, Frederick R., Douglas, Jack F., Keten, Sinan
Format: Artigo
Sprache:Inglês
Veröffentlicht: 2017
Schlagworte:
Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC6463524/
https://ncbi.nlm.nih.gov/pubmed/30996475
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.macromol.7b01717
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