Project description

A postdoctorial position at the Department of Physics is immediately available in the area of theoretical modelling of photovoltaic materials and related simulations of X-ray spectra.

To solve several of the problems that we face today, for example with sustainable energy production, we need insight into the molecular mechanisms of the underlying electronic and photo-chemical processes. Hybrid perovskite solar cells offer a promising new technology which have had an unprecedented increase in power conversion efficiency. However, current perovskite technology is held back by several limitations in the design, including critical stability and environmental issues.

The research interests in the Molecular Dynamics Quantum Chemistry group range from accurate quantum mechanical studies of small molecules to realistic simulations of eletrolyte solutions and photovoltaic materials. New approaches for spectrum simulations are developed with state-of-the-art quantum chemistry, and in particlar dynamical effects on chemical and electronic processes are investigated. 

For more information about the research group see:

Main responsibilities

The purpose of the project is to contribute to the development of improved photovoltaics though material characterisation and theoretical investigations of mechanisms for excited state dynamics, charge carrier dynamics and energy transfer. The sucessful candidate will be working with a combination of modern quantum chemistry and initio molecular dynamics simulations. The candidate will also interact with the two PhD students in the group presently working within this project.

Depending on the research background of the candidate, the project may take different directions. Either with focus on realistic modelling of photovoltaic materials and their interfaces and dynamical processes therein, or with focus on accurate simulations of spectroscopic observables in these systems.


Ref. No. SU FV-3661-18

Closing date: 20 December 2018

Complete information here.