Adaptive Resolution Simulation of Liquid Water

Details Adaptive Resolution Simulation of Liquid Water Adaptive Resolution Simulation of Liquid Water

2006-11-21

arxiv.org/abs/cond-mat/0611544v2

J. Phys.: Condens. Matter 19, 292201, 2007

Physics

Condensed Matter

Soft Condensed Matter

4 pages, 3 figures; changed figure 2

Scientific paper

10.1088/0953-8984/19/29/292201

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.

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