Prof. Dr. Oberhofer: Computational Materials Design

Chair Description

The research of the Chair of "Computational Materials Design" focusses on computer and data-driven investigations of charge carriers in diverse materials, ranging from battery-components and photo-electrocatalysts to (metal-) organic semiconductors. Their process is thereby always based on gaining a basic physical understanding of the underlying microscopic processes with the help of first-principles simulations, which in parts they also develop. The data thus generated is then analysed with statistical, so called data-mining, and machine learning methods to extract general design criteria for the specific materials. This approach allows them both, to incorporate experimentally measured data and in general aid in the the experimental design of materials.

Chair holder: Prof. Dr. Harald Oberhofer

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