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Performance of Coarse Graining in Estimating Polymer Properties: Comparison with the Atomistic Model
Combining atomistic and coarse-grained (CG) models is a promising approach for quantitative prediction of polymer properties. However, the gaps between the length and time scales of atomistic and CG models still need to be bridged. Here, the scale gaps of the atomistic model of polyethylene melts, t...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2020
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7077424/ https://www.ncbi.nlm.nih.gov/pubmed/32046337 http://dx.doi.org/10.3390/polym12020382 |