Adaptive Resolution Simulation of Liquid Water
classification
❄️ cond-mat.soft
cond-mat.stat-mech
keywords
liquidwateradaptiveresolutionsimulationall-atomallowsapproach
read the original abstract
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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