2.2 Ultrafast Molecular Dynamics

Non-adiabatic coupling between electronic and nuclear degrees of freedom plays a central role in many essential chemical and biological processes, including ultrafast internal-conversion dynamics and charge flow and energy-transfer processes. Understanding and controlling these mechanisms is crucial for advancing applications that range from natural and artificial light-harvesting systems to next-generation energy-conversion technologies based on organic molecular materials.

In this project, advanced experimental approaches—including ultrafast electron diffraction, high-order harmonic generation and time-resolved X-ray spectroscopy—are developed and applied to achieve simultaneously high spatial and temporal resolution in the study of photochemical reactions in gas-phase molecules. These techniques enable the direct observation of atomic rearrangements and changes in electronic configuration throughout the reaction pathway, providing comprehensive insight into molecular dynamics on ultrafast timescales. Additionally, the project places strong emphasis on the generation and characterization of chiral high-order harmonics, which open new avenues for investigating ultrafast chiral dynamics in molecules.