Christopher J. Stein

Christopher J. Stein is an Associate Professor of Theoretical Chemistry at the Technical University of Munich (TUM), part of the TUM School of Natural Sciences. His research focuses on theoretical (electro-)catalysis, developing electronic-structure models and solvation/embedding methods to understand and optimize catalytic processes. He leads the Stein Group, which integrates computational chemistry with high-throughput simulations to advance energy materials and battery technologies. His work emphasizes realistic modeling of catalyst behavior under operational conditions and has contributed to advancements in quantum embedding and automated reaction mechanism exploration.

Education and Career: Earned his PhD in Theoretical Chemistry, with postdoctoral research at Caltech (2017-2020). Became an Associate Professor at TU Munich in 2023. He previously held roles at Karlsruhe Institute of Technology and contributed to projects like the BIG-MAP Materials Acceleration Platform.

Research Interests: Theoretical chemistry, electrochemical interfaces, battery materials, high-throughput computational methods, and machine learning integration. His group explores topics like solid electrolyte interphases, charge transfer mechanisms, and automated workflows for materials discovery.

Awards: While no explicit awards are listed, his contributions to materials acceleration platforms and theoretical catalysis have been widely recognized in the field. His work has been featured in journals like Journal of Chemical Physics, Chemical Science, and Angewandte Chemie.

Labs/Teams: Leads the Stein Group at TUM, collaborating with institutions like the Munich Data Science Institute and MIRMI. His lab focuses on computational tools for accelerating energy material development, including quantum embedding and cloud-based simulations.