Open challenges in nonadiabatic dynamics: photons and electron-hole pairs

The theory of nonadiabatic dynamics is the story of "following the energy." A photon's energy flows into an electronic excitation, the electronic excitation leaks into nuclear motion, etc. Unfortunately, describing this flow quantitatively can be very problematic in practice: electronic structure is expensive, dynamics are non-standard with multiple surfaces, and some processes are very slow. As if this weren't difficult enough, the situation becomes yet more complicated when molecules are under light and/or near metal surfaces. In this talk, I will highlight our recent investigations of nonadiabatic dynamics in these many different environments and I will highlight open questions for the community.