A multiscale simulation-based approach is presented for predicting anti-icing properties of nanocomposite coatings. Development of robust anti-icing coatings is a challenging task. An anti-icing coating that can prevent in-flight icing is of particular interest to the aircraft industry. A multiscale simulations based approach is developed to provide insights into the complex effect of coating material and surface topology on the prevention of in-flight icing. Chemical properties of different coatings and kinetics of icing or inhibition of ice nucleation are calculated from nanoscale atomistic simulations. In addition, in-flight icing environments including impingement and rolling of supercooled microdroplet and nucleation of ice under wind shear have been implemented using fluid dynamics methodologies. A model for icing in nano-to-microscale for surfaces with known chemical composition and surface topology is used for developing predictive capabilities regarding anti-icing performance of potential coatings. In this work, fluorinated polyhedral oligomericsilsesquioxanes molecules have been used to increase nanoscale roughness when embedded in a polycarbonate polymeric matrix. The findings suggest that a successful anti-icing coating will require precise control over nanoscale and microscale roughness. The multiscale methodology presented therefore can potentially help in identifying coupled effects of material, surface topology, and icing environment for promising coatings before performing icing tunnel experiments.