The Adaptive Resolution Scheme (AdResS) is a hybrid scheme that allows one 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.
@article{arxiv.1407.7488,
title = {Statistical Mechanics of Hamiltonian Adaptive Resolution Simulations},
author = {Pep Español and Rafael Delgado-Buscalioni and Ralf Everaers and Raffaelo Potestio and Davide Donadio and Kurt Kremer},
journal= {arXiv preprint arXiv:1407.7488},
year = {2015}
}