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
develops quantum chemical methods (in particular in coupled-cluster theory) and investigates open-shell systems; we also love scientific visualization in augmented reality
A new PhD (actually a doctor rerum naturalis) is born! Congratulations, Patrik! 👨🎓🎉
November 10, 2025 at 10:08 AM
A new PhD (actually a doctor rerum naturalis) is born! Congratulations, Patrik! 👨🎓🎉
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.
July 1, 2025 at 6:53 PM
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.
@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!
June 26, 2025 at 1:18 PM
@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!
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!
May 28, 2025 at 9:51 PM
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!
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...
May 8, 2025 at 4:21 PM
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...
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!
May 2, 2025 at 8:28 AM
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!
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
April 23, 2025 at 11:19 AM
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
... and after Easter, Tobias Rau from our group will fly to Japan to present the newest outcome from our collaboration:
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...
Tobias Isenberg - Traversing Dual Realities: Investigating Techniques for Transitioning Digital Objects between Desktop and Augmented Reality Environments
tobias.isenberg.cc
April 17, 2025 at 11:59 AM
... and after Easter, Tobias Rau from our group will fly to Japan to present the newest outcome from our collaboration:
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
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...
Tobias Isenberg - Understanding Collaborative Learning of Molecular Structures in AR with Eye Tracking
tobias.isenberg.cc
April 17, 2025 at 11:56 AM
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
Reposted by Koehn group (theoretical chemistry)
I have an open PhD position on the development of coupled cluster models for electronically open molecules🌟 Please share! #ERCCoG
www.jobbnorge.no/en/available...
www.jobbnorge.no/en/available...
PhD Candidate in quantum chemistry (278574) | NTNU - Norwegian University of Science and Technology
Job title: PhD Candidate in quantum chemistry (278574), Employer: NTNU - Norwegian University of Science and Technology, Deadline: Sunday, April 27, 2025
www.jobbnorge.no
April 3, 2025 at 10:28 AM
I have an open PhD position on the development of coupled cluster models for electronically open molecules🌟 Please share! #ERCCoG
www.jobbnorge.no/en/available...
www.jobbnorge.no/en/available...
Reposted by Koehn group (theoretical chemistry)
The AgTC (Arbeitsgemeinschaft Theoretische Chemie) is joining the blue sky. We will post about theoretical and computational chemistry-related topics.
To find out more about us, visit agtc.univie.ac.at
#AgTC #TheoChem #CompChem
To find out more about us, visit agtc.univie.ac.at
#AgTC #TheoChem #CompChem
ARBEITSGEMEINSCHAFT THEORETISCHE CHEMIE
agtc.univie.ac.at
March 17, 2025 at 5:07 PM
The AgTC (Arbeitsgemeinschaft Theoretische Chemie) is joining the blue sky. We will post about theoretical and computational chemistry-related topics.
To find out more about us, visit agtc.univie.ac.at
#AgTC #TheoChem #CompChem
To find out more about us, visit agtc.univie.ac.at
#AgTC #TheoChem #CompChem
Reposted by Koehn group (theoretical chemistry)
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/...
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
March 13, 2025 at 9:24 PM
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/...
Out in ACS Central Science @acs.org
In collaboration with @koehngroup.bsky.social @agvsl.bsky.social & Sarkar
pubs.acs.org/doi/10.1021/...
Reposted by Koehn group (theoretical chemistry)
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
March 5, 2025 at 9:34 AM
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
Reposted by Koehn group (theoretical chemistry)
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...
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 ...
www.linkedin.com
February 12, 2025 at 10:51 PM
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...
Follow us for news or click on the webpage below to see the programme and travel info! www.linkedin.com/events/ecmol...
Reposted by Koehn group (theoretical chemistry)
👋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...
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
February 7, 2025 at 12:58 PM
👋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...
Check it out and feel free to get in touch 💬
👇
efzu.fa.em2.oraclecloud.com/hcmUI/Candid...
Today's group seminar program: Classical mechanics (practical exercise 🙂)
January 28, 2025 at 9:03 PM
Today's group seminar program: Classical mechanics (practical exercise 🙂)
Our new paper on multireference CC/CEPA hybrids is now out: doi.org/10.1002/jcc....
January 23, 2025 at 8:19 AM
Our new paper on multireference CC/CEPA hybrids is now out: doi.org/10.1002/jcc....
Reposted by Koehn group (theoretical chemistry)
Starkes Signal!!
Über 60 dt. Hochschulen & Forschungsinstitutionen haben heute ihren Ausstieg bei X bekanntgegeben, s.u. #eXit
X sei nicht mehr vereinbar mit ihren Grundwerten: „Weltoffenheit, wissenschaftliche Integrität, Transparenz und demokratischer Diskurs.“
Liste der Beteiligten hier:
Über 60 dt. Hochschulen & Forschungsinstitutionen haben heute ihren Ausstieg bei X bekanntgegeben, s.u. #eXit
X sei nicht mehr vereinbar mit ihren Grundwerten: „Weltoffenheit, wissenschaftliche Integrität, Transparenz und demokratischer Diskurs.“
Liste der Beteiligten hier:
Hochschulen und Forschungsinstitutionen verlassen Plattform X - Gemeinsam für Vielfalt, Freiheit und Wissenschaft
nachrichten.idw-online.de
January 10, 2025 at 9:21 AM
Starkes Signal!!
Über 60 dt. Hochschulen & Forschungsinstitutionen haben heute ihren Ausstieg bei X bekanntgegeben, s.u. #eXit
X sei nicht mehr vereinbar mit ihren Grundwerten: „Weltoffenheit, wissenschaftliche Integrität, Transparenz und demokratischer Diskurs.“
Liste der Beteiligten hier:
Über 60 dt. Hochschulen & Forschungsinstitutionen haben heute ihren Ausstieg bei X bekanntgegeben, s.u. #eXit
X sei nicht mehr vereinbar mit ihren Grundwerten: „Weltoffenheit, wissenschaftliche Integrität, Transparenz und demokratischer Diskurs.“
Liste der Beteiligten hier:
Reposted by Koehn group (theoretical chemistry)
Thrilled to host @jwestermayr.bsky.social from uni Leipzig
for a talk at our institute today! We look forward to intensive discussions.
for a talk at our institute today! We look forward to intensive discussions.
January 7, 2025 at 9:25 AM
Thrilled to host @jwestermayr.bsky.social from uni Leipzig
for a talk at our institute today! We look forward to intensive discussions.
for a talk at our institute today! We look forward to intensive discussions.
Reposted by Koehn group (theoretical chemistry)
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...
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...
www.nature.com
January 2, 2025 at 11:01 AM
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...
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...
Happy New Year! We just created a new place to be here on this platform. More to come 🙂
January 1, 2025 at 4:06 PM
Happy New Year! We just created a new place to be here on this platform. More to come 🙂