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I’m currently doing my habilitation in the research group of Prof. Dr. Daniel Sebastiani. Recently, I have become a junior research group leader, funded by the Deutsche Forschungsgemeinschaft (DFG), at the Institute for Chemistry at Martin Luther University of Halle-Wittenberg.

In my scientific career, I have extensively studied the interplay between the structural and electronic properties of materials, mainly through quantum chemical electronic structure calculations and ab initio molecular dynamics simulations. Improving the reliability and extending the applicability of such simulations have also been at the center of my research focus.

In the newly founded research group, Simulation of Energy Materials, we investigate the chemical processes in lithium-based batteries. We are particularly interested in lithium-sulfur batteries which are promising candidates for the next-generation energy-storage devices beyond lithium-ion batteries.

For more details, please have a look at Research and Publications pages.


About Me

Simulation of Energy Materials

Physical & Theoretical Chemistry

Von-Danckelmann-Platz 4

06120 Halle (Saale)




Dr. Pouya Partovi-Azar

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Updated: Mar. 2022