Corrosion is a detrimental and very costly phenomenon often observed in consumer electronics and household appliances. Protective coatings are a widespread way to prevent against corrosion, which significantly limits the exposure of the metal to an aggressive environment. The main objective of this research project is to yield molecular origins of the interfacial adhesion mechanism of an epoxy-based coatings applied on the steel surfaces using Molecular Dynamics (MD) simulations. Specifically, the effect of different functional groups (ie silane, fluorinated silane, amine groups) of the epoxy-based coating materials on the interfacial binding to the steel surface and the diffusion of the small molecules (ie water) through coating materials will be studied . Simulations will be performed under different realistic working conditions such as dry, moist, salty environment at given operating temperatures. This research and development collaboration project intends to bring together and develop state-of-the-art understanding and computational modeling capabilities of interfacial adhesion mechanism at extreme length scales.