Manipulating the photo-reactivity of molecules can be achieved either by chemical modification, changing the environment, or by dressing the potential energy surface with specially tailored electromagnetic fields. From cavity quantum electrodynamics it is well known that an optical resonator can modify spontaneous emission of atoms via quantization of the radiation field. While this topic has been studied for a long time by scientists from atomic physics and quantum optics, more recently its potential for the control photochemical reactions has been discovered. This discovery potentially opens up new possibilities to design photonic catalysts and light-matter materials.
This project will theoretically investigate the possibilities of controlling the excited state dynamics of molecules in cavities and develop new simulation techniques that properly handle coupled ensembles of molecules.
The successful candidate will develop a dynamics simulation method for a coupled many-molecule system in an optical cavity and use this method to investigate potential applications. This will involve the use excited state quantum chemistry method and their integration with a suitable nuclear dynamics technique. The candidate will implement the method in software.
The second part of the project will involve the application of the developed method to a specific molecular system. The aim is to identify a cavity based photocatalytic scheme that allows for influence the decomposition pathways of environmentally relevant molecules.
Postdoctoral positions are appointed primarily for purposes of research. Applicants are expected to hold a Swedish doctoral degree or an equivalent degree from another country.
A suitable background is a PhD in theoretical molecular physics or theoretical chemistry and experience with quantum chemistry methods (e.g, CASSCF, CASSPT2, or similar electronic structure methods), quantum dynamics or semi-classical molecular dynamic schemes, quantum optics, and programming in a common language (e.g. MATLAB, Fortran, Python, C++, or Julia). Well-developed English language skills are required.