Postdoc position: theoretical tools for simulating time-resolved and multidimensional spectroscopies

There is an open two-year postdoctoral position in Nanna H. List group at the Department of Theoretical Chemistry and Biology, KTH Royal Institute of Technology, Sweden.

Topic: Development and application of theoretical tools for simulating time-resolved, multidimensional spectroscopies.

Application deadline: January 31, 2022

For details on the position and how to apply, please visit:


Photoinduced electron, proton and energy transport in molecules and materials is the functional core of many biological and engineered processes such as light-harvesting, photosynthesis, charge-separation in photovoltaic devices and photomechanical switching. Although the photons couple directly with the electrons in these processes, it is the intricate interplay of the electrons and nuclei that dictates the directionality and efficiency of the energy and charge exchange. New and emerging time-resolved and multidimensional X-ray/optical techniques open the doors to directly probe the underlying ultrafast coupled electron–nuclear dynamics. In other words, they encode explanations of how such photo-induced processes work. However, decoding the experiments relies critically on a close synergy with theory and simulation.

You will develop and use new theoretical tools to simulate, interpret and ultimately predict the associated spectral fingerprints of light-driven molecular processes. We will follow alternative theoretical perspectives with a two-fold aim: (i) to develop new fundamental insight into light–matter interactions and the inner workings of photoinduced processes and (ii) to explore possible practical routes to overcome existing methodological and computational bottlenecks in current state-of-the-art approaches.

Position requirements

  • A PhD degree in theoretical chemistry, physics or related disciplines, obtained within the last three years prior to the application deadline.
  • Experience in advanced theoretical modeling
  • Experience with theory and code development (preferably in C++ and Python).
  • Knowledge of quantum mechanics, basic electrodynamics, basic atomic and molecular physics.
  • Good oral and written proficiency in English.
  • Ability to work both independently and as part of a diverse team.

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