Symbolbild Materialchemie

Source: BAM

Digital materials chemistry is an innovative and interdisciplinary field of research that combines traditional materials chemistry with modern digital methods. Digital materials chemistry uses computer simulation and modelling techniques to study and predict the behaviour of materials at the atomic and molecular level. This includes quantum chemical calculations to study the electronic structures and properties of materials, and molecular dynamics simulations to analyse the dynamic behaviour of atoms and molecules. Data-driven materials development enables the automated exploration of a wide range of material compositions and structures, considering sustainability and safety aspects, through high-throughput screening and machine learning to predict material properties and optimise synthesis processes.

Projects:

further information

Prof. Dr. rer. nat. Heinz Sturm, Head of Department Materials Protection and Surface Technology, Bundesanstalt für Materialforschung und -prüfung (BAM)

Contact Prof. Dr. rer. nat. Heinz Sturm