Neudecker Group

News

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!

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.

April 19, 2024

Our new paper details the implementation of a generalized JEDI strain analysis, which can be used to rationalize chemical processes in mechano- and high-pressure chemistry of molecular and periodic systems. Congratulations to Henry, Sanna (both former Master’s students in our group) and Wilke for this exciting publication.

April 16, 2024

Today, two Master's students, Marvin and Nico, are starting their work in our group. Marvin will be working on the further development of the JEDI analysis, while Nico will be testing various molecular surfaces in high-pressure simulations. We are looking forward to a lot of exciting science!

April 2, 2024

How large does a molecular cluster need to be to show bulk properties? We discuss this question in our new perspective article. Thanks to Norman Sieroka and Tammo Lossau for the fun collaboration.

March 28, 2024

The new CREST paper is out now. Felix has contributed an implementation of X-HCFF for high-pressure simulations of molecular ensembles. Details will follow.