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Multiscale simulation of soft matter systems – from the atomistic to the coarse-grained level and back

✍ Scribed by Peter, Christine; Kremer, Kurt

Book ID
121352039
Publisher
Royal Society of Chemistry
Year
2009
Tongue
English
Weight
881 KB
Volume
5
Category
Article
ISSN
1744-683X

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Simulation of polymer melts. II. From co
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✍ W. Tschöp; K. Kremer; O. Hahn; J. Batoulis; T. Bürger 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 106 KB 👁 1 views

Starting out from a computer simulation of a rather simple bead spring model, where the parameters are determined from an atomistic model by a numerical renormalization procedure (preceeding paper), after long simulation runs the chemical details are reintroduced into the coarse-grained chains. The