Project description

Subject: Theoretical Physics/Chemical Physics.

Directing molecular movies - Quantum mechanical simulations of time-resolved X-Ray/XUV spectroscopy.

Two PhD openings are immediately available for outstanding individuals to work on the development of theoretical simulations of time-resolved X-Ray/XUV spectroscopy.

Ultrafast X-ray sources open up a range of new possibilities for exploring the internal structure of molecules during chemical reactions, but improved theoretical modelling is required to utilized the potential. The extreme combination of temporal and spectral resolution is not available in conventional optical femtosecond experiments.

Ultrashort laser pulses in the extreme ultraviolet and X-ray laser regime, as they are provided by free electron laser and high harmonic generation sources, allow for resolving the coupled nuclear+electronic dynamics in photochemical processes. Ultrafast hard X-ray sources make time-resolved diffraction experiments possible, paving the way to capture the nuclear dynamics of molecules in time as well as in space, with the "molecular movie" of a chemical reaction as the ultimate goal.

The successful applicant will develop simulation methods for advanced X-Ray/XUV spectroscopic methods, perform quantum chemical calculations, run molecular dynamics simulations, and will work in collaboration with experimental groups.

The training primarily involves theoretical methods, but the project is embedded in a Marie Skłodowska-Curie training network [SMART-X] ( including academic and non-academic partners engaged in both theoretical and experimental activities. The position requires 4 secondments with a total duration of at least 6 months in partner institutions within the network (outside Sweden).

We are looking for self-motivated candidates who are fluent in English and who are enthusiastic about working on theory projects that combine state-of-the-art chemistry, electronic structure calculations, quantum mechanics and physics. Prior training in theoretical chemistry, molecular physics, or quantum optics, and knowledge in computer programming languages is of advantage.

Note that in order to be eligible for the position you must no have more than four years of full time research experience and must not have a doctorcal degree.

Furthermore you must not have resided or carried out your main activity (e.g. work, studies) in Sweden for more than 12 months in the 3 years immediately before the recruitment date.For more detailed information see

The project involves two theoretical groups at the Division of Chemical Physics and more information about the research activities can be found at our respective group pages: and


Ref. No. SU FV-3729-20

Closing date: 10 December 2020

Complete information here.