A multi-scale Monte Carlo method for electrolytes
Artifacts arise in the simulations of electrolytes using periodic boundary conditions (PBCs). We show the origin of these artifacts are the periodic image charges and the constraint of charge neutrality inside the simulation box, both of which are unphysical from the view point of real systems. To c...
Guardado en:
| Autores principales: | , , |
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| Formato: | Artigo |
| Lenguaje: | Inglês |
| Publicado: |
IOP Publishing
2015-01-01
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| Colección: | New Journal of Physics |
| Materias: | |
| Acceso en línea: | https://doi.org/10.1088/1367-2630/17/8/083062 |
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