The Luxembourg Institute of Science and Technology (LIST) is a leading research and technology organization based in Luxembourg. It serves as a key driver for innovation and sustainable development in the country. With a multidisciplinary approach, LIST conducts cutting-edge research in various fields, including materials science, environmental science, information and communication technologies, and renewable energies. The institute collaborates closely with industry, academia, and public institutions to address societal challenges and create practical solutions. Work for TREX by fostering a dynamic research environment and promoting knowledge transfer, the Luxembourg Institute of Science and Technology actively contributes to the advancement of science, technology, and economic growth in Luxembourg and beyond.

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.