Computational Aspects: Self-clean Coatings, Plastics and Polymers in Coatings

Computational techniques have widely been used as a powerful tool in different sectors of polymeric coatings to predict several targeted and performance properties. Articles employing different computational methods in different coatings such as self-clean, fire-retardant, anti-icing, and anti-corrosion have been discussed in this chapter. We discuss how computational chemistry has helped in discovering novel coating materials and present an overview on different simulation techniques helped to optimize and provide fundamental insights in materials behavior. This chapter may surely help the new researchers to gain deeper insights about the capabilities of MD simulations employed in different sectors of coatings.