The influence of cavity coupling on the mechanisms of the photo-isomerization of azobenzene was investigated through realistic ab initio simulations in the work shown in Fig. , adapted from Ref. 61. The reaction involves photo-excitation of azobenzene under ultraviolet light, which allows for isomerization from trans to cis on the excited state potential energy surfaces (Fig. ). In this molecule, there is an intrinsic conical intersection between the S 0 (ground adiabatic electronic state) and S 1 (first excited adiabatic electronic state) potential energy surfaces, in the nuclear configurational space of the CNNC dihedral angle (coupling coordinate) and NNC angle (stretching coordinate). Both coordinates are illustrated in Fig. . The light-matter interaction between the |S 0 , 1⟩ and |S 1 , 0⟩ surfaces causes a Rabi splitting between the upper and lower polariton surfaces, as shown along the NNC angular DOF in Fig. .