As a result of rising requirements to modern materials, their properties will be affected directly. The permanent proceeding development of more complex materials and smaller structures implicates intense increasingly development costs and development periods.
For a specific influence of material system properties, a detailed understanding of physical effects is needed. A lot of these properties can only be described with the help of quantum mechanical calculations.
Due to potential cost savings and a better understanding of physical properties, quantum mechanical calculations got a permanent place within the development of new materials and the analysis of mechanical stabilities of nanoscale structures.