Adaptive Resolution Simulation as a Grand Canonical Molecular Dynamics Scheme: Principles, Applications and Perspectives

Abstract

We describe the adaptive resolution multiscale method AdResS. The conceptual evolution as well as the improvements of its technical efficiency are described step by step, with an explicit reference to current limitations and open problems.

C. Clementi (Ed.),Multiscale Methods in Molecular Biophysics, Series in Computational Biophysics, CRC Press (2016), ISBN 1482225700