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Path Integral Molecular Dynamics of Liquid Water in a Mean‐Field Particle Reservoir
We present a simulation scheme for path integral simulation of molecular liquids where a small open region is embedded in a large reservoir of non interacting point‐particles. The scheme is based on the latest development of the adaptive resolution technique AdResS and allows for the space‐dependent...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
John Wiley and Sons Inc.
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8973269/ https://www.ncbi.nlm.nih.gov/pubmed/35218165 http://dx.doi.org/10.1002/open.202100286 |