Technical University of Munich (former partner)

Theoretical Chemistry
Principal investigator: 
Karsten Reuter

The former colaborator of LMCat project, the Technical University of Munich (TUM) is one of Europe’s top universities. It is committed to excellence in research and teaching, interdisciplinary education and the active promotion of promising young scientists. The university also forges strong links with companies and scientific institutions across the world. TUM was one of the first universities in Germany to be named a University of Excellence. Moreover, TUM regularly ranks among the best European universities in international rankings.

As in many other areas of materials science, modern computational science is becoming a key contributor in the quest to quantitatively understand the molecular-level mechanisms underlying the macroscopic phenomena in chemical processing, which will ultimately enable a rational design of novel catalysts, energy suppliers and improved production strategies. Of particular relevance are hierarchical approaches that link the insights that modeling and simulation can provide across all relevant length and time scales. At the Chair for Theoretical Chemistry corresponding methodological and applied work focuses on heterogeneous catalysis, (photo)electrocatalysis, batteries, energy materials and new opportunities created by the data sciences. 

For the DirectSepa project this group has moved to Fritz Huber Institute