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Updated: Apr 17, 2026

An Analog Macroscopic Technique for Studying Molecular Hydrodynamic Processes in Dense Gases and Liquids
Published on: December 4, 2017
Statistical mechanics of Hamiltonian adaptive resolution simulations
P Español1, R Delgado-Buscalioni2, R Everaers3
1Dept. Física Fundamental, Universidad Nacional de Educación a Distancia, UNED, Aptdo. 60141, E-28080 Madrid, Spain.
Abstract:
The Adaptive Resolution Scheme (AdResS) is a hybrid scheme that allows to treat a molecular system with different levels of resolution depending on the location of the molecules. The construction of a Hamiltonian based on the this idea (H-AdResS) allows one to formulate the usual tools of ensembles and statistical mechanics. We present a number of exact and approximate results that provide a statistical mechanics foundation for this simulation method. We also present simulation results that illustrate the theory.
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