Project description

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.

Main responsibilities

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.


Ref. No. SU FV-0400-19

Closing date: 10 March 2019

Complete information here.