Prof. Frank Ortmann

Curriculum Vitae

Research

Simulation of Electronic Processes

The major goal of our research is the development and application of highly efficient theoretical and computational methods to describe physical properties of chemical compounds in various application fields. This ranges from electronic properties and charge transport to optical, thermoelectric or photovoltaic properties.

Controlling electronic processes is a great challenge because of interesting effects from the quantum world and interesting materials with each material having its own specific set of properties. This makes predictions and simulations a great endeavor, where theoretical modelling is often closely linked to experiments or material design. 

For instance, in the field of covalent organic frameworks, we aim at predicting novel 2D COF structures based on molecular and supra-molecular simulations. The simulations “from molecules to functions” span multiple length and time scales (see research overview).