Ultrafast imaging of quantum dynamics; from theory to experiments

Photochemical reactions remain among the least understood molecular processes, due to their intrinsic quantum nature, the fast time-scales involved and the importance of non-adiabatic effects. New experimental techniques, such as X-ray scattering using X-ray Free Electron Lasers or High Harmonic Generation Spectroscopy using intense infrared lasers, aim to image ultrafast processes with unprecedented spatial and temporal detail. However, the physical processes that are used as a probe are non-trivial, and require extensive theory for their interpretation. We will discuss our work on the theory and simulations of quantum dynamics, ranging from electron to nuclear motion, and discuss how these efforts link to recent experiments, including experiments at the LCLS in California.