Dynamical pathways of N-heteropolycycles in the strong light-matter coupling regime.
Polaritonic chemistry seeks to modify reactivity and structure through coupling to the quantized photonic modes of resonance cavities. The field is in its infancy but growing quickly. In this PhD project, we will learn how to modify singlet fission and other energy transfer mechanisms in cavities from a first-principles quantum molecular dynamics perspective.
A fully funded PhD position is available in the Theoretical Chemistry Group, Heidelberg University, within the recently extended SFB 1249 (N-Heteropolyzyklen als Funktionsmaterialen) for the period 2021-2024.
Possible starting date: Sommer semester 2021 or earlier.
The strong light-matter coupling regime provides new opportunities to steer and control the structure and dynamics of molecular systems. Much progress in our group has been made towards simulating ultrafast dynamical processes in small molecules by quantum dynamics approaches. The main goal of this project is to discover general strategies to modify the process of singlet fission in N- heteropolycycles by exploiting the coupling to the photonic modes of a resonance cavity. The project involves the usage and further development of state-of-the-art quantum dynamics methods, as well as close interaction with the experimental groups in the consortium.