Chemical potential perturbation: A method to predict chemical potentials in periodic molecular simulations
A new method, called chemical potential perturbation (CPP), has been developed to predict the chemical potential as a function of density in periodic molecular simulations. The CPP method applies a spatially varying external force field to the simulation, causing the density to depend upon position...
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| Veröffentlicht in: | The Journal of chemical physics 2011-03, Vol.134 (11), p.114514-114514-11 |
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| Hauptverfasser: | , |
| Format: | Artikel |
| Sprache: | eng |
| Online-Zugang: | Volltext |
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