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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


January 17th, 2022

Welcome, Rahel, to your research internship in our group. Rahel will do method development to improve the accuracy of the X-HCFF pressure code.


December 9th, 2021

Sanna successfully defends her Master’s Thesis. Congratulations! She made some significant advances towards making the JEDI analysis user-friendly and more widely applicable.


November 9th, 2021

Lars and Philipp are starting their research internships in our group today. Welcome! Lars will be simulating deformed DNA, whereas Philipp will focus on small molecules under pressure.


October 29th, 2021

Phil started his master thesis this week in cooperation with the Staubitz group. Also Alex started his research internship.

Welcome you two!


October 28th, 2021

Our group seminar will take place on Wednesdays at 10:15 am. The seminar is public, so external guests (e.g. students) are cordially invited!

You can find information on the schedule here.


October 20th, 2021

In our new paper we demonstrate the capability of regularized orbital-optimized MP2 to calculate magnetizabilities. Thanks to the Head-Gordon groups in Berkeley!


October 15th, 2021

Congrats to Julius for successfully defending his Master’s thesis. Julius now starts as a PhD student in our group. He will continue his work on mixed classical and quantum chemical calculations on biological systems that play a role in the prevention of neurodegenerative diseases.


September 28th, 2021

Sourabh and Felix show that bond rupture in mechanophores can be reversed by applying hydrostatic pressure. This baromechanical cycle can boost the reusability of force-responsive and mechanochromic materials.


August 23th, 2021

The Q-Chem 5 paper has been published. The newest version of Q-Chem features contributions by Tarek as well as several pressure models that have been co-developed by our group.


August12th, 2021

Today Sourabh published a new preprint! In his manuscript he proposes to control the reversible isomerization of spiropyran to merocyanine by applying hydrostatic pressure or mechanical forces.


July 28th, 2021

Today we did a canooing tour on the Wümme as our first group activity. Here we also took our new group picture, make sure to check it out!









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, online; please write an email to get access