The Röhr group develops theoretical methods to understand and rationally design light-induced processes in electronically coupled molecular systems. Central to our work is the development of analytic many-body electronic-structure approaches for correlated excited states in molecular aggregates and complex environments, combined with quantum-classical dynamics. By linking these methods to inverse design and machine-learning strategies, we aim to derive predictive structure-function relationships and enable the rational design of photofunctional molecular systems.
