Neudecker Group

News

November 12, 2024

Nico defends his Master’s thesis and is now M.Sc. Nico Kißing. Congrats!

November 8, 2024

In collaboration with the Göstl group (University of Wuppertal), our former PhD student Sourabh has a new paper on thermally stable mechanophores. Congrats to all on the completion of this very interesting project.

November 7, 2024

Ansgar Pausch from the University of Amsterdam and Felix have developed an efficient GOSTSHYP algorithm with which high-pressure simulations of large systems are possible. They also test how different surfaces affect the results of the calculations. All details can be found in the preprint.

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 15, 2024

Marvin defends his Master’s thesis and is now M.Sc. Marvin Breier. Congrats!

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 Göstl 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!