Corrosion is a frequently observed, harmful effect, which occurs, for example, in electrical and household appliances. To avoid this undesirable influence, materials are often coated with a protective coating based on epoxy resin. This layer reduces direct contact between a metallic surface and an aggressive environment. In this project, the adhesion behavior of epoxy resins on metal surfaces, as well as the diffusion of water and ions at the forming interface are investigated using molecular dynamics simulations. In addition, the influence of different functional groups (e.g. silanes, fluorinated silanes, amino groups) of the epoxy resin on the bonding with the metal surface are considered. Understanding these properties is fundamental, in order to be able to realize possible improvements to these coatings. The simulations are carried out under environmental conditions of different humidity, temperature and salinity. The aim of the work is to gain deep insights into adhesion processes at the molecular level using innovative modeling methods.