Formulation of Liouville's Theorem for Grand Ensemble Molecular Simulations

• Published in: arXiv.org
• Main Author: Site, Luigi Delle
• Format: Paper Journal Article
• Language: English
• Published: Ithaca Cornell University Library, arXiv.org 29.03.2016
• Subjects: Existence theorems; Liouville theorem; Mathematics - Mathematical Physics; Open systems; Physics - Computational Physics; Physics - Mathematical Physics; Physics - Statistical Mechanics; Simulation

Liouville's theorem in a grand ensemble, that is for situations where a system is in equilibrium with a reservoir of energy and particles, is a subject that, to our knowledge, has not been explicitly treated in literature related to molecular simulation. Instead Liouville's theorem, a cent...