Hybrid fluid/solid materials are encountered in many technologies involving adhesives, coatings, lubricants, and composite materials. In such systems the interaction between the adsorbed molecules and the solid surfaces control the overall performance of the multiphase material system. Here we present a hierarchical multi-scale approach that involves different levels of description in order to study complex multi-phase nanocomposite systems. Our approach combines quantum calculations as well as microscopic (atomistic) and mesoscopic (coarse-grained) dynamic simulations. Our primary goal is to study the effect of confinement on the structural and dynamical properties of liquid systems, for a variety of materials. The consistent combination of different levels of description allows us to quantitatively model hybrid complex polymer based nanocomposite systems.