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.

Topics
Molecular dynamics, Coarse-grain model, Free energy, Friction, Thermal instruments, Thermodynamic states and processes, Thermodynamic properties, Statistical mechanics, Monte Carlo methods, Stochastic processes
© 2015 AIP Publishing LLC.
2015
AIP Publishing LLC
You do not currently have access to this content.