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Hybrid molecular-continuum simulations using smoothed dissipative particle dynamics
We present a new multiscale simulation methodology for coupling a region with atomistic detail simulated via molecular dynamics (MD) to a numerical solution of the fluctuating Navier-Stokes equations obtained from smoothed dissipative particle dynamics (SDPD). In this approach, chemical potential gr...
Gardado en:
| Publicado en: | J Chem Phys |
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| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
AIP Publishing LLC
2015
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| Assuntos: | |
| Acceso en liña: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5848718/ https://ncbi.nlm.nih.gov/pubmed/25637963 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4905720 |
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