Neudecker Group


In the Neudecker (formerly Stauch) group we focus on Theoretical and Computational Chemistry. We develop and apply quantum chemical methods for the calculation of spectroscopic properties of molecules under various external influences (e.g. mechanical force, pressure, temperature). Please refer to the Research page for more details.

Twitter: @TimNeudecker


January 12th, 2023

Philipp defends his Master's thesis and is now M.Sc. Philipp Diephaus. Congrats!


January 9th, 2023

The beginning of the year marks the start of not one, but two new eras in our group: Jonas and Alexander start their journeys as PhD students. Furthermore, Siyara continues her research internship in our group. We look forward to a lot of cool science and fun together.


December 1st, 2022

In their new paper, Sourabh, Rahel and Felix show that transition states can be transformed to minima on the PES by applying pressure. We hope to see the first experimental confirmation of this prediction soon.


November 22nd, 2022

Rahel has defended her Master’s thesis and is now M.Sc. Rahel Weiß. Congratulations! The results of her thesis, in which she characterized stationary points on the pressure-modified potential energy surface, will be published soon.


November 1st, 2022

We have a new paper with the Gesing group, in which we investigate precursors of mullite-type photocatalysts.


October 21st, 2022

Felixpaper on a screening algorithm for one-electron-three-center overlap integrals has been accepted for publication. This algorithm also dramatically accelerates GOSTSHYP calculations. Fun collaboration with Eric and Evgeny! Thanks to all co-authors.


October 19th, 2022

Alexander defends his Master’s thesis and is now M.Sc. Alexander Dellwisch. Congratulations! In his Master’s thesis Alexander has found out how topologically strained hydrocarbons react to pressure. In January we will begin working on quantum mechanochemical simulations in complex environments.


September 29th, 2022

Jonas defends his Master’s thesis and is now M.Sc. Jonas Bentrup. Congrats, Jonas! The results of his Master’s thesis have contributed to reducing the dependence of the X-HCFF method on empirical parameters. We will shortly present a manuscript on his findings. We are looking forward to our future collaboration in the context of sonochemical simulations, starting in January.


September 23rd, 2022

Together with the Stadler (HZI Braunschweig) and Spiteller (U Bremen) groups, Tarek has characterized the complex structure of some natural products. To explain the experimental ECD spectra, he has run some rather complex calculations, as detailed in his new paper.


September 5th, 2022

Felix published his first article as a preprint today! In this work he shows improvements for the GOSTSHYP method, which vastly reduce its calculations time and memory demand. Congrats Felix!


August 10th, 2022

Our paper on emergent high-pressure properties of hydrogen cyanide has been published. Congrats to all co-authors! We’re looking forward to exploring more emergent properties in the future.









Prof. Dr. Tim Neudecker
University of Bremen
Institute for Physical and Theoretical Chemistry
Leobener Str. NW2, A4060

D-28359 Bremen, Germany

Tel.: +49 (0)421 218 50280
Email: neudeckerprotect me ?!uni-bremenprotect me ?!.de