The Catalysis Theory Center

The Catalysis Theory Center (CatTheory) will develop the theory of heterogeneous catalysis and electro-catalysis. This includes development of a fundamental understanding of chemical processes at the gas-solid and liquid-solid interface as well as chemical conversion processes with special emphasis on sustainable production of fuels and chemicals. Links to and inspiration from related areas in homogeneous and biological catalysis are encouraged.

The Catalysis Theory Center is a highly collaborative effort, internally and with experimental groups at DTU and elsewhere. It is also closely linked to the electronic structure theory group at DTU Physics and the Section for atomic scale modelling and materials at DTU Energy. The Catalysis Theory Center has in place infrastructure and computational facilities as well as funding for students and postdocs.