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
March 01, 2025
Natália and Marzia start their postdoctoral projects in our group. Natália will work on high-pressure biochemical processes and Marzia will simulate switchable polymers using a multiscale modeling approach. Welcome!
February 13, 2025
In his new paper, Felix presents an algorithm for conformational sampling under high pressure. The method is implemented in CREST and can therefore be used freely. Many thanks to Philipp Pracht from the University of Heidelberg for this great cooperation.
February 04, 2025
Ilkim defends her Bachelor’s thesis and is now B.Sc. Ilkim Czech. Congratulations!
January 27, 2025
In their new paper, Jonas, Rahel and Felix present a method for making high-pressure simulations with X-HCFF more consistent. For this purpose, they have developed a scaling factor for the nuclear gradient that makes the dependence on empirical parameters almost completely disappear. Congratulations, you three, on this great paper.
January 20, 2025
Today, Annelene begins her research internship in our group, in which she will work on pressure-induced chemical reactions. Welcome, Annelene.
January 17, 2025
Ansgar (University of Amsterdam) and Felix present a much faster version of the GOSTSHYP pressure model in their new paper. They also look at the influence of different surface definitions on the results of high-pressure simulations. Many thanks for the exciting cooperation.
January 17, 2025
In their new preprint, Chieh-Min and Alexander simulate the irradiation of various materials with high-energy protons. Among other things, they calculate the average penetration depth and distribution of the deformation energy in the material during the irradiation process. Congratulations on completing this exciting project!
January 13, 2025
Basila starts her research module under Wilke’s guidance. She will work on machine learning methods for solid materials. Welcome, Basila!
January 01, 2025
What a great start to the year. We welcome two new group members: Wilke is working on his own postdoc project on quantum chemical simulations and machine learning for nanoparticles, funded by the Central Research Development Fund, and Nico is starting his doctoral thesis, in which he is developing new simulation methods for high-pressure chemistry. Welcome to our group! We are looking forward to exciting joint research.
December 19, 2024
In collaboration with the Nachtsheim group, Tarek has worked on chiral iodonium salts that enable enantioselective halogen bond catalysis. The paper is out now. Congrats to all co-authors.
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