Neudecker Group
? Uni BremenStrain analysis of a knotted polyethylene strand
? Uni BremenBonding analysis of iron-sulfur bonds
? Uni BremenEnergy contributions in a strain analysis
? Uni BremenRubredoxin with central FeS4 unit
? Uni BremenMechanochemical pressure model
? Uni BremenStrain analysis of 1,4-substituted triazole
? Uni BremenTime-resolved UV/VIS absorption spectrum of homotropylium
? Uni BremenStrain analysis of a derivative of Dewar benzene
? Uni BremenProtein force sensor
Welcome
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.
X (Twitter): @NeudeckerGroup
News
November 2, 2024
Christoph is starting his Bachelor's thesis in our group today. He will work on the JEDI code, develop it further and simulate some chemically interesting systems under pressure and tensile forces. Welcome, Christoph!
October 11, 2024
We are currently offering a two-year postdoc position in our group. The application deadline is November 8, 2025. The position will start in March 2025.
October 4, 2024
In his new preprint, Jonas presents an advancement of the X-HCFF high-pressure simulation approach that largely eliminates its dependency on an arbitrary scaling factor. His new approach reduces the empiricism of X-HCFF and makes it more widely applicable.
October 1, 2024
Ilkim starts her Bachelor’s thesis in our group. She will investigate electronic properties of molecules under pressure. Welcome, Ilkim!
August 23, 2024
In a new collaboration with the group of Robert G?stl from Wuppertal University, our former PhD student Sourabh (now a postdoc in the Martini group at UC Merced) has contributed calculations on the thermal, photochemical and mechanochemical stability of an intriguing class of mechanophores. It turned out that you can boost the mechanical activation rate of the mechanophores while keeping the molecules sufficiently stable. The details can be found in the new preprint.
August 5, 2024
Two projects are starting in our group today: In his research internship, Maximilian studies IR vibrations under pressure, and Jeremias investigates the Schwartz reagent as part of his Bachelor's thesis. Welcome to our group, Maximlian and Jeremias!
July 24, 2024
Tarek’s paper on the interplay between force, temperature and electric fields in the rupture process of mechanophores has been published. Congrats, Tarek!
June 19, 2024
Florian is starting his doctoral thesis in our group. In cooperation with an industrial partner, he will develop a multiscale model for mechanochemical processes in different materials, which combines molecular and macroscopic scales. We are looking forward to a lot of exciting science!
June 18, 2024
In his new preprint, Tarek investigates the interplay between force, temperature and electric fields in the rupture process of mechanophores.
June 10, 2024
Tarek has contributed to a new preprint by Mattis from the Nachtsheim group on a new chiral iodonium catalyst. Thanks to all for this fun collaboration.
Contact
Prof. Dr. Tim Neudecker
University of Bremen
Institute for Physical and Theoretical Chemistry
Leobener Str. 6, UFT, 1250
D-28359 Bremen, Germany
Tel.: +49 (0)421 218 50280
Email: neudeckerprotect me ?!uni-bremenprotect me ?!.de