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Improving the efficiency of Monte Carlo simulations of ions using expanded grand canonical ensembles
While ionic liquids have promising applications as industrial solvents, predicting their fluid phase properties and coexistence remains a challenge. Grand canonical Monte Carlo simulation is an effective method for such predictions, but equilibration is hampered by the apparent requirement to insert...
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| Publicado no: | J Chem Phys |
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| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2019
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7254863/ https://ncbi.nlm.nih.gov/pubmed/31615250 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.5123683 |
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