The University of Konstanz (uni.kn) is one of eleven universities in Germany that are being funded as “Universities of Excellence” by the Excellence Strategy of the German Federal and State Governments. Interdisciplinary and international cooperation, support of junior researchers, knowledge, and technology transfer as well as a close link between research and teaching are its guiding principles. Data Science is one of the university’s emerging fields of research. Work for TREX will take place at the Department of Computer and Information Science, which has a strong track record of research awards.

Role in TREX

The research group of Matthias Rupp will develop and provide machine-learning models for quantum Monte Carlo calculations, for example, as surrogate models to significantly extend the size of modeled atomistic systems and length of dynamics simulations. Matthias Rupp has extensive experience in developing, validating, and applying machine-learning models for first-principles electronic-structure calculations of molecules and materials.