Was a wonderful experience to meet old and new friends at #DonghuaUniversity in #Shanghai to talk about #excitedstates. A perfect workshop organization by Jin Wen!
#photochem

Excited about next adventure!
Looking forward to attend WUFXS in Shanghai and visiting friends at Donygua University and PKU in Beijing!
There I go!
@univie.ac.at

Elucidating the Transition Kernel and Anharmonic Coupling in the Spin‐crossover Process of a [FeIII(qsal)2] CH3OSO3 Complex Ultrafast broadband transient absorption spectroscopy and multireference excited-state nonadiabatic calculations in an open-shell Fe(III) complex unveil the rich electronic and vibrational dynamics d...

Happy to share this amazing work from Dilara @univie.ac.at, together with Dwyne Miller‘s group @utoronto.ca, just out at @angewandtechemie.bsky.social
🔥🔥🔥🔥🔥

#SHARC 🦈 SCO dynamics with #RASSCF in a Fe(III) open-shell complex & transient spectroscopy
🧪⌨️💡

onlinelibrary.wiley.com/doi/10.1002/...

Cool conference, but my friends,
0 female out of 5 keynotes and
3 out of 21 invited talks? 😭

Is it only me who realizes the ratio cannot be right? 🤔

Lots of AG González at
wtc.quantchem.at

@sebastian-mai.bsky.social giving lectures on #SurfaceHopping 🦈(what else? 😅)
Further wonderful lectures by
@insilphotochem.bsky.social
Federica Agostini and Jeremy Richardson.

@univie.ac.at

Great time with doctoral students at the first #DosChem retreat of @univie.ac.at with all pillars (160+ people) at Rust.
Well done @costaszois.bsky.social for your great talk about #photocatalysis with #rotaxanes ! @catalight.bsky.social
@fwf-at.bsky.social
@dfg.de

Happy birthday, Schrödinger equation!
At the #ESI Schrödinger workshop! „The world in one line“
@univie.ac.at

Meals in Vienna included some tasty Austrian food, including a personal favourite schnitzel for dinner. For lunch , I got taken to a pretty tasty Sichuan restaurant an had twice fried pork belly. Dinner the first night was some solid but not outstanding pizza and vitello tonato and a tiramisu.

Congratulations to Dora Voros!
She passed her PhD defense with flying colors !
A brand new Dr at @univie.ac.at !
Made possible from #DFCAM doctoral school @fwf-at.bsky.social bridging #physics and #chemistry.

Well done Dora! 💐

#VISTAtalks 100 🥳💯 🧪 on #CompChem with a special guest speaker:

💠J.C. Tully, Yale Univ: Adventures with Surface Hopping

Wed 14 Jan 2026, 10:00 Buffalo / 16:00 Paris / 23:00 Beijing

quantum-dynamics-hub.github.io/VISTA/

Eine Geburtstagsparty für die Schrödingergleichung gibt's am 22-23 Jänner am @esivienna.bsky.social

www.esi.ac.at/events/e596/

Un placer estar en @UMACiencias para conmemorar el #DiaDeLaQuimica con el centenario de la #MecanicaCuantica #IYQ2025 ⚛️

Gracias a @rseq-quimica.bsky.social y a todos los involucrados en hacer mi estancia en Málaga todo un lujo! 😎

@univie.ac.at
#compchem
#theochem

🎉 New COSY perspective in @acs.org JCTC!
"Vibronic Coupling Potentials for Trajectory-Based Excited-State Dynamics"
🔗 doi.org/10.1021/acs....
Congratulations to @quimicafisica1.bsky.social*, Patricia Vindel-Zandbergen*, Dilara Farkhutdinova, @letigonzalez.bsky.social*! 👏
@costprogramme.bsky.social

Join us for our Chemistry World webinar delving into the extraordinary life of Walter Kohn. Register now.

Do you want to learn about the life of Walter Kohn, Nobel prize-winning chemist and physicist? Join us for our webinar focused around a newly published biography that delves into Kohn’s extraordinary journey – author Sir David Clary will join us live.

Register: https://rsc.li/3LwkwbX #ChemSky

Together with @sdirocco.bsky.social, I had the pleasure to award the ESI Medal of @esivienna.bsky.social to Michele Parrinello. Thank you Georg Kresse, @mahrossi.bsky.social and Giuseppe Foffi for some wonderful talks.

Unraveling the Photoisomerization Mechanism of Group-8 Fulvalene-Bridged Bimetallic Complexes for Molecular Solar–Thermal Energy Storage The (fulvalene)Ru2(CO)4 complex is the only known metal-based photoswitch capable of both harvesting solar energy upon irradiation and releasing it on demand, acting as a molecular solar–thermal fuel....

🌶️🌶️🌶️
Puzzle on Fulvalene-Bridged Bimetallic Complexes for Molecular Solar–Thermal Energy Storage ☀️☀️solved in @jacs.acspublications.org

Great work by Gaurab Ganduly powered by @ec.europa.eu at @univie.ac.at
#photochem #MolecularSwitches
#compchem

pubs.acs.org/doi/10.1021/...

Thank you #ISCR at @univrennes2.bsky.social @insarennes.bsky.social for the great hospitality, fantastic food and impressive science! 🙏
Visiting pretty Rennes was a bonus!

a group of minions are standing next to each other and they are laughing and saying yay ALT: a group of minions are standing next to each other and they are laughing and saying yay

An idea which started 2 years and 25 days ago, accepted today in @jacs.acspublications.org

Looking forward to visit a Rennes!

Outside Front Cover: Mechanistic Insight into Para‐Substituent Control of Thermal Half‐Lives in Arylazopyrazole Photoswitches A rollercoaster illustrates the competing pathways of para-substituted arylazo-1,3,5-trimethylpyrazole photoswitches during thermal Z/E isomerization. In their Research Article (e202514433), the grou...

Our #MolecularSwitches made it to the front cover in @angewandtechemie.bsky.social
👏👏👏👏
Ready for a rollercoaster round? 🤪

Great work from @univie.ac.at and @tuwien.at powered by @fwf-at.bsky.social

onlinelibrary.wiley.com/doi/10.1002/...

Really cool MOFs are #NobelPrize winners …
Congratulations to the three champions!

Good that our #MOF @angewandtechemie.bsky.social was published on time:

onlinelibrary.wiley.com/doi/full/10....

#OnTheCover Spin Frustration Determines the Stability and Reactivity of #MetalOrganicFrameworks with Triangular Iron(III)–Oxo Clusters (Leticia González and co-workers) in @angewandtechemie.bsky.social

doi.org/10.1002/anie...

#Quantenmechanik entschlüsselt Eisenkatalysator 🧲⚛️
Ein Team der Universität Wien konnte mithilfe von quantenmechanischen Berechnungen die Funktionsweise eines eisenbasierten #Katalysators entschlüsseln, und zeigen, dass der Effekt der #Superposition ihn stabilisiert und leistungsfähiger macht. 🧑‍🔬⤵️

Perspective: Vibronic Coupling Potentials for Trajectory-Based Excited-State Dynamics This Perspective reviews the use of vibronic coupling (VC) potentials in trajectory-based excited-state dynamics simulations. Originally developed to provide simplified yet physically grounded represe...

Vibronic models are making a comeback, thanks to trajectory methods! 🕺🏿🕺🏿🕺🏿
#TSH, #vMCG, #ExactFactorization
#Dynamics ☀️

💥💥Check our Perspective in #JCTC @pubs.acs.org

with @quimicafisica1.bsky.social, Patricia and Dilara 💪
@dfg.de

Apologies if we missed any paper! 😬

pubs.acs.org/doi/10.1021/...

Happy that this is finally published and making noise! 💃🏿💃🏿

What better than a rollercoaster for this work? It took many ups and downs to get this explained.

Great work from Nadja Singer and Kathi Schlögl! Worked hard to understand half-lives in these #azobenzene #photoswitches !
🎉🎉

Spin Frustration Determines the Stability and Reactivity of Metal–Organic Frameworks with Triangular Iron(III)–Oxo Clusters Standard DFT fails to capture the spin-frustrated ground state of triangular Fe(III) metal–organic frameworks (MOFs), leading to distorted geometries and incorrect binding predictions. Using flip-spi...

Lead author Patrick Lechner starts his PhD with a "Very Important Paper" in Angewandte Chemie! doi.org/10.1002/anie...
His simulations reveal how spin frustration is key to understanding iron-based MOFs with triangular iron centers, building on decades of experimental work.
Stay tuned for more!

Spin Frustration Determines the Stability and Reactivity of Metal–Organic Frameworks with Triangular Iron(III)–Oxo Clusters Standard DFT fails to capture the spin-frustrated ground state of triangular Fe(III) metal–organic frameworks (MOFs), leading to distorted geometries and incorrect binding predictions. Using flip-spi...

Frustrated? 🤪 Don’t be!

Our spin headaches in the #MOF #MIL101(Fe) is just published in @angewandtechemie.bsky.social

Our first #MECS paper, powered by @fwf-at.bsky.social and @univie.ac.at

onlinelibrary.wiley.com/doi/10.1002/...

Mechanistic Insight into Para‐Substituent Control of Thermal Half‐Lives in Arylazopyrazole Photoswitches Herein we provide an overview of photochromic and photophysical properties of a broad variety of arylazo-1,3,5-trimethylpyrazole photoswitches, including the influence of 23 different para-substituen...

🎉 🎉🎉 Just published in @angewandtechemie.bsky.social
A long, long, really long story between @univie.ac.at and @chemistry-tuw.bsky.social with a happy end!
About #azobenzene #photoswitches and #half-lives…
Joint 👩‍💻and 👩‍🔬 work powered by @fwf-at.bsky.social

onlinelibrary.wiley.com/doi/10.1002/...

Last 24h to go! 🔥🔥🔥🔥
Looking for sabbatical or research stage at University of Vienna @univie.ac.at ?
Apply to our senior & early-career fellowships at the new #Vienna Center for Advanced Studies #ViCAS vicas.univie.ac.at

Deadline: Sept 1, 2025. Please apply!

Michael Wagner - Deputy Head - Centre for Microbiology and Environmental Systems Science: "Now launching: ViCAS, the University of Vienna's new Center for Advanced Studies - an international hub for all disciplines, offering prestigious 9-month fellowships for bold, transformative research in one of Europe's most inspiring cities."

Manuela Baccarini, Vice Rector for Research and International Affairs Systems Science: "Join us at ViCAS and become part of a vibrant community of scholars committed to pushing the boundaries of multi- and transdisciplinary research from the humanities to the natural and life science."

Join us at #ViCAS - a new interdisciplinary Center for Advanced Studies at the University of Vienna! 🏛️
Application for Senior #Fellowships and Early-Career Fellowships are now possible. 👨‍🔬👩‍🔬
📅 Deadline for Application: 1st September 2025.
Apply now: ⤵️
vicas.univie.ac.at
#PhDSky #AcademicSky