Journal
MOLECULAR SIMULATION
Volume 28, Issue 8-9, Pages 729-750Publisher
TAYLOR & FRANCIS LTD
DOI: 10.1080/0892702021000002458
Keywords
computer simulation (Monte Carlo, molecular dynamics); atomistic models; coarse-grained models; multiscale modelling
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The paper gives a short overview on recent approaches to link several time and length scales in soft matter simulations. Special attention is given to the fact that in contrast to low molecular weight compounds, intramolecular entropy is as important as the energetic contribution. First applications to industrially relevant problems are mentioned.
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