Welcome to the Keefer ERC Research Group

Quantum Molecular Dynamics  |  Ultrafast Spectroscopy  |  Quantum Control

We are a team of theoretical chemists and physicists. Our simulations aim to answer fundamental questions about chemical motion and its interaction with light.

The Keefer group is fascinated by light-induced molecular transformations. With our simulations, we aim to better understand the underlying nuclear and electronic motions, and find novel ways to visualize and control them. To that end, we employ advanced numerical protocols to simulate the electronic structure, quantum nuclear dynamics, and spectroscopic signals of molecules. 

A central focus lies on what we call the doorways of photochemistry – Conical Intersections. We develop cutting-edge spectroscopic tools, primarily using X-ray sources from free-electron lasers and tabletop setups, that can better visualize Conical Intersections. This endeavour is funded by the ERC Starting Grant QuantXS - Quantum-controlled X-ray spectroscopy [Grant agreement 01116417]. In addition, we use quantum dynamics simulations and artificial intelligence to better understand the operating principles of Conical Intersections, and how they could be manipulated.