Thanks a lot for the great teamwork 🤝 @uniregensburg.bsky.social @uni-muenster.de @uniheidelberg.bsky.social @gloriusgroup.bsky.social

A Free N‐Heterocyclic Carbene and Its Metal Complex Free N-heterocyclic carbenes (NHCs) are directly visualized on ultrathin sodium-chloride films on gold (NaCl/Au(111)) using scanning tunneling microscopy (STM), atomic force microscopy (AFM), and den...

Caught in the wild⚡We captured a rare, fleeting free NHC carbene and its gold complex🔬💻Real-space imaging and atomistic calculations offering an unprecedented glimpse✨A key step in connecting molecular properties to function🚀

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

Had a fantastic time presenting our research! Huge thanks to the organizers for an inspiring event. Many engaging discussions and fresh ideas. Excited to keep the interdisciplinary exchange going within the cluster!

Universität Heidelberg verteidigt Status als Exzellenzuniversität – Rektorin Frauke Melchior: „Großartige Gemeinschaftsleistung hat zum Erfolg geführt“ www.uni-heidelberg.de/de/newsroom/...
#universität #heidelberg #uniheidelberg #Exzellenzstrategie #ExStra

Happy to see our work featured on the cover of JCP @aip-publishing.bsky.social 🥳
Great work @osteral.bsky.social

Looking forward to team up with this incredible crew — can’t wait to see what we grow and build together. @uniheidelberg.bsky.social
@unihohenheim.bsky.social
@unituebingen.bsky.social

Exploring the response of photoswitchable polymer networks by atomistic simulations Light-responsive polymers containing molecular photoswitches are promising candidates for the development of smart materials. Here, we investigate the precise n

Exploring the response of photoswitchable polymer networks by atomistic simulations pubs.aip.org/aip/jcp/arti...

Good news🚀 Registration for the #3DMM2O Conference 2026 has been extended to February 15. Join us at the historic Schöntal Monastery for an inspiring conference on Frontiers for Theory, Computation and Design in 3D Materials👉 future3dam.org/registration...
@kit.edu @uniheidelberg.bsky.social

Registration is now open for the 3DMM2O Conference 2026!🚀 Join us at the Schöntal Monastery in March to explore the latest innovations in 3D additive manufacturing.
Register here 👉 future3dam.org/registration...
#3DMM2O #AdditiveManufacturing #3DPrinting @kit.edu @uniheidelberg.bsky.social

#chemsky #compchem #machinelearning #PhDposition #MaterialScience #Heidelberg

#chemsky #compchem #machinelearning #PhDposition #MaterialScience #Heidelberg

Interested in working at the interface of computational chemistry, machine learning and material science?

Feel free to get in touch with us: phdheidelberg@gmail.com

Interested in working at the interface of computational chemistry, machine learning and material science?

Feel free to get in touch with us: phdheidelberg@gmail.com

Had the chance to visit #IIITHyderabad and present some of our research activities @uniheidelberg.bsky.social Thanks to Deva Priyakumar and the whole group for hosting me! Great exchange and scientific discussion!

Thanks @kenitami.bsky.social group and former colleagues @uni-muenster.de for this great collaboration. Just out in @naturecomms.bsky.social
@uniheidelberg.bsky.social

Thanks Guillaume!

… and of course thanks a lot to the news teams @uniheidelberg.bsky.social and the IWR!

Recycling e-waste into gold-loaded covalent organic framework catalysts for terminal alkyne carboxylation - Nature Communications The rising demand for gold requires innovative methods for its recovery from e-waste. Here, the authors describe tetrazine-linked covalent organic frameworks loaded with recovered gold from mixed meta...

Using COFs to recycle e-waste @naturecomms.bsky.social

www.nature.com/articles/s41...

Thanks for the collaboration @cornelluniversity.bsky.social

… and of course thanks a lot to the news teams @uniheidelberg.bsky.social and the IWR!

A bit delayed post (as usual ☺️) but some updates in the newsroom @uniheidelberg.bsky.social

www.uni-heidelberg.de/en/newsroom/...

Thanks!!!

🙋🏻‍♂️

#chemsky #compchem #machinelearning #PhDposition #MaterialScience #Heidelberg

* Computational Surface Chemistry/Physics

* Investigation of structural and dynamic properties of molecular switches and machines

* Atomistic investigations of porous materials (e.g. MOF, COFs, cages)

Topics include
* Multiscale simulations of stimuli-responsive functional materials

* Development and application of evolutionary algorithms, neural networks and machine learning for modeling, evaluation and visualization of dynamic phenomena

#chemsky #compchem #machinelearning #PhDposition #MaterialScience #Heidelberg

* Computational Surface Chemistry/Physics

* Investigation of structural and dynamic properties of molecular switches and machines

* Atomistic investigations of porous materials (e.g. MOF, COFs, cages)

Topics include
* Multiscale simulations of stimuli-responsive functional materials

* Development and application of evolutionary algorithms, neural networks and machine learning for modeling, evaluation and visualization of dynamic phenomena

Computational surface chemistry/physics 🙋🏻‍♂️