RESEARCH & DISCOVERY

The Hirschi group investigates reaction mechanisms in photoredox, electrochemical, and transition metal catalysis using advanced computational methods and experimental mechanistic studies. Central to our approach is a mechanistically driven design philosophy: by characterizing key intermediates, transition states, and competing reaction pathways — including open- and closed-shell manifolds — we extract the electronic and structural principles that govern selectivity and reactivity. This mechanistic insight directly informs the development of novel methodologies and catalyst architectures.