We present a multiscale simulation of liquid water where a spatially adaptive molecular resolution procedure allows for changing on-the-fly from a coarse-grained to an all-atom representation. We show that this approach leads to the correct description of all essential thermodynamic and structural properties of liquid water.
@article{arxiv.cond-mat/0611544,
title = {Adaptive Resolution Simulation of Liquid Water},
author = {Matej Praprotnik and Luigi Delle Site and Kurt Kremer and Silvina Matysiak and Cecilia Clementi},
journal= {arXiv preprint arXiv:cond-mat/0611544},
year = {2007}
}