We have applied a novel theoretical and computational method called CECILIA (combined embedded cluster at the interface with liquid approach) to study adsorption of molecular water on the MgO(001) surface and its interface with water. The MgO(001) surface is modeled by a quantum cluster embedded in a field of pseudopotentials and point charges. The effects of an aqueous environment are included by placing a dielectric continuum in the region above the embedded cluster. Calculated geometry, energetics, and electronic spectra for adsorbed water are in good agreement with available experimental and theoretical data. In particular, many features of the interfacial structure and dynamics (McCarthy, M. I.; Schenter, G. K..; Scamehorn, C. A.; Nicholas, J. B. J. Phys. Chern. 1996, 100, 16989) are well-reproduced in our calculations. These results demonstrate the suitability of the CECILIA model for studying chemical processes at solid-liquid interfaces.