Koehn group (theoretical chemistry)
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koehngroup.bsky.social
Koehn group (theoretical chemistry)
@koehngroup.bsky.social
140 followers 190 following 13 posts
Andreas Köhn's research group at the University of Stuttgart
develops quantum chemical methods (in particular in coupled-cluster theory) and investigates open-shell systems; we also love scientific visualization in augmented reality
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koehngroup.bsky.social
A new PhD (actually a doctor rerum naturalis) is born! Congratulations, Patrik! 👨‍🎓🎉
The candidate (2nd from the right, still a bit exhausted) after the rigorosum, surrounded by the examiners.
November 10, 2025 at 10:08 AM
koehngroup.bsky.social
@unistuttgart.bsky.social is presented at WATOC2025 in Oslo by @johanneskaestner.bsky.social group, Benjamin Stamm's group, Guntram Rauhut's group, and us. A very enjoyable meeting!
A group picture of (nearly) all University of Stuttgart participants.
June 26, 2025 at 1:18 PM
koehngroup.bsky.social
We have now released Version 1.1.1 of chARpack (chemistry in Augmented Reality package). This includes precompiled binaries for Windows (Server App), Android (Client App on Quest 3), or Universal Windows (Client App on Hololens 2). Find it on github.com/KoehnLab/chA... and have some real 3D fun!
Scene showcasing the program package: An interactive hologram representation of a molecule in front of a computer screen.
May 28, 2025 at 9:51 PM
koehngroup.bsky.social
Now online (and open access): Our (personal) perspective on multireference coupled-cluster theory (with Robert Adam and Alex Waigum): See doi.org/10.1002/wcms...
The graphical abstract published with that work. It shows the coupled-cluster exponential ansatz sailing from "the safe shores of single reference theory" to the "promised land of high-accuracy multireference theory" (the "cliffs of complexity" still to be by-passed). Maybe a bit silly, but we had to draw something :)
May 8, 2025 at 4:21 PM
koehngroup.bsky.social
Tobias Rau has now presented his paper #CHI2025 and also received the paper award. If you look closely at the picture you see that also molecules are involved. Nice collaboration with @tisenberg.bsky.social and Michael Sedlmair and Benjamin Lee from VISUS @unistuttgart.bsky.social. Well done Tobias!
Picture showing Tobias during his presentation at the CHI2025. The title slide is shown in the background: "Traversing Dual Realities: Investigating Techniques for Transitioning 3D Objects between Desktop and Augmented Reality Environments". There is also a picture on the title slide showing a user who "pulls" a molecule "out of the screen" into a 3D hologram representation. (That's the connection to chemistry, if you wonder.)
May 2, 2025 at 8:28 AM
koehngroup.bsky.social
Now online in Advanced Optical Materials: Nice work of the group of A. J. C. Kuehne (Ulm), in collaboration with @deschlerlab.bsky.social, A. Gross and our group (featuring Robert Toews). A new twist on radical emitters, so to say 🙂. Check it out at doi.org/10.1002/adom... @unistuttgart.bsky.social
Table of contents graphic showing the relevant chemical structures of donor substituted trityl radicals. Additional Chlorine substituents at the trityl site increase the donor-acceptor angle and lead to larger quantum yields (increase from 4-27% to 16-59%).
April 23, 2025 at 11:19 AM
koehngroup.bsky.social
... and they do really well 😀
January 28, 2025 at 9:06 PM
koehngroup.bsky.social
Today's group seminar program: Classical mechanics (practical exercise 🙂)
A happy group at the bowling center
January 28, 2025 at 9:03 PM