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From molecular dynamics to Brownian dynamics
Three coarse-grained molecular dynamics (MD) models are investigated with the aim of developing and analysing multi-scale methods which use MD simulations in parts of the computational domain and (less detailed) Brownian dynamics (BD) simulations in the remainder of the domain. The first MD model is...
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| Autor principal: | |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
The Royal Society Publishing
2014
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| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4032556/ https://ncbi.nlm.nih.gov/pubmed/25002825 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1098/rspa.2014.0036 |
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