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Koehn group (theoretical chemistry)

@koehngroup.bsky.social

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

15 Posts150 Follower194 Folgt
Koehn group (theoretical chemistry)@koehngroup.bsky.social · last yr.

Big thanks to the @pccp.rsc.org Editorial Board for selecting our recent article on spin-orbit coupling in multireference coupled-cluster theory (doi.org/10.1039/D5CP...) for the 2025 HOT PCCP articles list. We appreciate the distinction.

Treatment of spin–orbit coupling with internally contracted multireference coupled cluster theory

We present the formalism for computing state-interaction matrix elements within the multistate extension of internally contracted multireference coupled-cluster theory. In particular, we focus on the ...

doi.org

Physical Chemistry Chemical Physics@pccp.rsc.org · last yr.

What's HOT in physical chemistry and chemical physics? Find out today in our PCCP 2025 HOT article collection 🔥 Read them for free here: pubs.rsc.org/en/journals/...

A P-C-C-P promotional graphic with the main title "2025 P-C-C-P HOT articles" and the sub-heading "hand-picked by our Editors and Reviewers. Read them all here: rsc.li/pccp-hot25
Koehn group (theoretical chemistry)@koehngroup.bsky.social · last yr.

... and after Easter, Tobias Rau from our group will fly to Japan to present the newest outcome from our collaboration:

Tobias Isenberg@tisenberg.bsky.social · last yr.

Tobias Rau will soon present our paper (with A. Koehn, M. Sedlmair, B. Lee; best paper award) "Traversing Dual Realities: Investigating Techniques for Transitioning Digital Objects between Desktop and Augmented Reality Environments" at @chi.acm.org in Japan: tobias.isenberg.cc/VideosAndDem...

Koehn group (theoretical chemistry)@koehngroup.bsky.social · last yr.

There are some updates from our collaboration with @tisenberg.bsky.social and the team at VISUS @unistuttgart.bsky.social. This is a slightly older post by Tobias on a collaborative learning evironment based on our chARpack software, see also charpack.github.io

Tobias Isenberg@tisenberg.bsky.social · last yr.

Our paper on "Understanding Collaborative Learning of Molecular Structures in AR with Eye Tracking" (with T. Rau, M. Koch, N. Pathmanathan, D. Weiskopf, M. Sedlmair, A. Köhn, K. Kurzhals) was recently published in IEEE CG&A. More info: tobias.isenberg.cc/VideosAndDem...

Alessandro Lunghi@lunghiale.bsky.social · last yr.

The Spin-Phonon Relaxation Mechanism of Single-Molecule Magnets in the Presence of Strong Exchange Coupling Out in ACS Central Science @acs.org In collaboration with @koehngroup.bsky.social @agvsl.bsky.social & Sarkar pubs.acs.org/doi/10.1021/...

The Spin-Phonon Relaxation Mechanism of Single-Molecule Magnets in the Presence of Strong Exchange Coupling

Magnetic relaxation in coordination compounds is largely dominated by the interaction of the spin with phonons. Although a comprehensive understanding of spin-phonon relaxation has been achieved for m...

pubs.acs.org

Van Slageren Group@agvsl.bsky.social · last yr.

David's, Julia's and Simon's excellent work on the electronic structure of a radical-bridged dinuclear single-molecule magnet has now been published in @naturecomms.bsky.social. rdcu.be/ecfil. Coll. @koehngroup.bsky.social and Biprajit Sarkar. @unistuttgart.bsky.social. @dfg.de. @mwk-bw.bsky.social

Electronic structure of mononuclear and radical-bridged dinuclear cobalt(II) single-molecule magnets

Nature Communications - Four-coordinate cobalt(II) complexes possess high energy barriers toward inversion of the magnetic moment, but not the magnetic bistability needed for magnetic data storage....

rdcu.be

4th European Conference on Molecular Spintronics@ecmols2025.bsky.social · last yr.

The 4th European Conference on Molecular Spintronics is coming to Dublin this year! Join us from the 2nd to the 4th of June @tcddublin.bsky.social #TCDSchoolOfPhysics 🧲⚛️🖥️ Follow us for news or click on the webpage below to see the programme and travel info! www.linkedin.com/events/ecmol...

ECMolS 2025 Conference | LinkedIn

This is the official LinkedIn event page of the 4th European Conference on Molecular Spintronics (ECMolS 2025) to be held from 2nd to 4th June, 2025 at Trinity College Dublin, Ireland. Following the ...

linkedin.com

Kasper S. Pedersen@kasperspedersen.bsky.social · last yr.

👋Our department at the Technical University of Denmark is looking for an assistant/associate professor in *any* chemical discipline! 🧪🇩🇰 Check it out and feel free to get in touch 💬 👇 efzu.fa.em2.oraclecloud.com/hcmUI/Candid...

Associate Professor or DTU Tenure Track Assistant Professor in Chemistry - DTU Chemistry

The Technical University of Denmark (DTU) offers the opportunity to build a research group in advanced and applied chemistry at an internationally esteemed department with an excellent infrastructure.

efzu.fa.em2.oraclecloud.com

Sindlinger Lab@sindlinger-lab.bsky.social · 2y ago

Hello chemical community here over where the skies are blue! As our first post/tweet here, we would like to make you aware of the approaching closing date (6th Jan 25) for a professorship of coordination chemistry at our institute of inorganic chemistry in Stuttgart! www.nature.com/naturecareer...

Professorship (W3) „Inorganic Coordination Chemistry" - Stuttgart, Baden-Württemberg (DE) job with Universität Stuttgart | 12832718

University of Stuttgart Faculty of Chemistry   Professorship (W3) „Inorganic Coordination Chemistry” Institute of Inorganic Chemistry | to be appoi...

nature.com