期刊
MOLECULAR SIMULATION
卷 28, 期 8-9, 页码 729-750出版社
TAYLOR & FRANCIS LTD
DOI: 10.1080/0892702021000002458
关键词
computer simulation (Monte Carlo, molecular dynamics); atomistic models; coarse-grained models; multiscale modelling
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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