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.
Statistical mechanics of Hamiltonian adaptive resolution simulations
P. Español, R. Delgado-Buscalioni, R. Everaers, R. Potestio, D. Donadio, K. Kremer; Statistical mechanics of Hamiltonian adaptive resolution simulations. J. Chem. Phys. 14 February 2015; 142 (6): 064115. https://doi.org/10.1063/1.4907006
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