Hamburg Photon Science Colloquium | Multiscale theory for operando energy conversion systems
by Karsten Reuter (Theoretical Chemistry and Catalysis Research Center, TU Munich, Germany)
at DESY, Hamburg ( CFEL SR I-III (Bldg. 99) )
Emerging operando spectroscopies and microscopies reveal a highly dynamic behavior of interfaces in working energy conversion systems. In catalytic systems, this involves continuous reaction-induced (surface) morphological transitions or even a liquid-like behavior. I will review this context from the perspective of first-principles based multiscale modeling, highlighting that modern machine learning approaches are likely key to tackle the true complexity.