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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


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.


July 31st, 2022

Sadly, Dr. Mausumi Chattopadhyaya, our Humboldt fellow, is leaving our group today. It is hard to believe that she has stayed three months already. Thanks for visiting us, discussing with us, doing lots of cool science and, overall, being such a great member of our group. We’re looking forward to continuing our collaboration.


June 9th, 2022

In our new preprint we answer the question how many HCN molecules are needed so that a linear chain of HCN shows the properties of the crystal. Nice work of our PhD students Chieh-Min, Felix and Tarek as well as Björn (now AG Beckmann), Sanna (now Uni Wuppertal) and Norman Sieroka from Theoretical Philosophy at the University of Bremen. We are looking forward to more collaborations in the future!


May 26th, 2022

Rahel and Philipp have started working on their Master's theses in our group. Rahel investigates vibrational spectra of molecules under pressure and Philipp konzentrates on the calculation of high-pressure properties of molecules and crystals. Welcome!


May 6th, 2022

Tarek's first preprint as a first author is online. In his manuscript he shows that Density Functional Theory can deliver remarkably accurate geometries and energies of molecules in strong electric fields, provided that an adequate functional is chosen. Congratulations for your nice work!


May 2nd, 2022

Dr. Mausumi Chattopadhyaya from the National Institute of Technology, Calicut, India, is joining our group via a three-month fellowship from the Alexander-von-Humboldt foundation. She investigates pressure-induced spin crossover. We thank the Alexander-von-Humboldt foundation for financing this exciting research. Welcome, Mausumi!


April, 19th, 2022

What a great way to start into the summer term: Two Master’s students are starting their work today. Alexander will investigate the mechanical properties of topologically strained hydrocarbons, whereas Jonas focuses on method development to make the X-HCFF method more robust. We’re looking forward to a lot of interesting science!


March 1st, 2022

Nico begins working on his Bachelor’s thesis in our group today. He concentrates on pressure-induced spin crossover processes in metal-ligand complexes.


February 25th, 2022

“Congrats, Yannik and Philipp from the Staubitz group to your new paper on BN-substituted dithienylpyrenes. It turns out that, compared to their all-carbon analogues, the BN-substituted systems do not form excimers. If you want to know more, be sure to check out the paper.









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

Office hours: Thu. 8-9 am (during the semester), NW2 A4060