Dr. Matthias Rupp

Chair for Bioinformatics and Information Mining

Research Interests

Machine-learning models for molecules and materials


After studying computer science, I obtained my Ph.D. in bioinformatics at the University of Frankfurt in 2009. I then worked as a postdoctoral researcher on cheminformatics at the Helmholtz center in Munich, machine learning at the Technical University of Berlin, computer-assisted drug design at ETH Zurich, and physical chemistry at the University of Basel. At the Fritz Haber Institute of the Max Planck Society I led the research group on Machine Learning for Materials. My last position in industry was as Applied Scientist with Citrine Informatics, a start-up working on active learning for industrial materials discovery and optimization. I am currently a faculty member at University of Konstanz, Germany.