I thought it should be ”I’m stoked…” 😉

After a while you get used to it 😉

Do you need easy access to local atom or bond features? Then our new Python package BONAFIDE could be of interest to you. More than 550 descriptors are now just a few lines of simple Python code away. Check it out here: molecularai.github.io/atom-bond-fe...

I think excited state SNAr is well know in the photochemical literature since decades

Realistic, charged and xTB in the same post 😉

Glad to share our new work: RitS (Right into the Saddle): a generative model for direct transition state (TS) prediction.
📄 Paper: chemrxiv.org/doi/full/10.26…
🤠 Code: github.com/isayevlab/RitS
• Flow-matching model with explicit stereochemistry control
• Direct TS generation from SMILEs #compchem

New preprint with Chao Zhang's team at Uppsala University! We used GraphINVENT to design new rechargeable battery solvents de novo. 🧑‍💻 #chemsky

Pre-print: doi.org/10.26434/che...
Code and data: to be released

PhD student in Bioinformatics The Department of Biochemistry and Biophysics   SciLifeLab ( SciLifeLab ) is a national center for molecular biosciences with a focus on health and environmental research. The center combines frontl

Two (or more) PhD student positions are open with me in protein structure evolution (using AI). Please apply/spread the word.

su.varbi.com/en/what:job/...

Tried chemotion.net?

Quarto is quite nice

Most physicists seem to rather use PBEPBE 😉

Rather more like 300k characters 😉

You forgot to mention that you can go to the Wagner festival every year 😉

My university (Chalmers University of Technology in 🇸🇪) is recruiting an assistant professor in data-driven cell & molecular biology, funded by the DDLS program @scilifelab.se #chemsky #facultychemjobs

The position comes with a nice start-up package

www.chalmers.se/en/about-cha...

Excellent news!

Hello bluesky, I'm a theoretical chemist at University of Bayreuth. My group works on atomistic modeling of energy materials with electronic structure methods and ML. I'm hoping to connect to other #compchem and #materials folks!

I gave up on journal feeds a while ago and use Google Scholar alerts, but for RSS feeds in general I use Reeder (Apple ecosystem).

Seems unfortunately that LinkedIn is the new platform of choice…

Happy to see the fruits of Leon Schlosser’s research stay at the Digital Chemistry Laboratory published in @jacs.acspublications.org! 🎉

I think there was a big shift when preprints became popular, especially ChemRxiv that is supported by several publishers. When I started my PhD, we always used templates, by the end not.

Not 100% sure whether becoming *my* new colleague is a win or a threat, 😂 but the amazing PSDA group at AstraZeneca is looking for new faces to join a clever, fun, and interdisciplinary team! I… | Nes... Not 100% sure whether becoming *my* new colleague is a win or a threat, 😂 but the amazing PSDA group at AstraZeneca is looking for new faces to join a clever, fun, and interdisciplinary team! I believ...

AstraZeneca is hiring in Predictive Science, Digital, and Automation and you even get my face on your screen. Being real, this is an awesome department to work in though #chemjobs #UKchemjobs #EUchemjobs www.linkedin.com/posts/nessac...

Cluster highlights in chemiscope 1.0 RC3

Release candidate 3 of chemiscope 1.0 is out, with class and range based highlighting of points. Try it, break it, report it on github.com/lab-cosmo/ch...

Congrats! I like RSC journals. Any particular one that you will be working with?

Or we start naming theories, reactions etc descriptively

Are you interested in any aspect of molecular chemistry? Come and joins us for the first Groningen Molecular Chemistry Symposium (GroMoChem): https://gromochem.web.rug.nl/ We have an excellent line-up of speakers, covering a broad range of topics. Additionally, if you are within 4 years of […]

Cullen skink Simmer haddock, potatoes, milk, onion and parsley to make this comforting soup. Serve with crusty bread for a filling lunch or supper

Reminds me of this dish which I started cooking when I lived in the UK. www.bbcgoodfood.com/recipes/cull... understated but sublime!

🚨Just 1 week left to apply! Join us in Gothenburg and work on AI for polymer design.

Quantum Chemistry: Restricted Hartree-Fock SCF Calculations Using Microsoft Excel Programs that facilitate ab initio calculations can relegate the underlying SCF procedure (usually coupled with contracted Gaussian atomic orbital basis sets) to a ‘black box.’ This paper attempts to rectify this situation with a spreadsheet that contains all the essential elements of far more complicated ab initio calculations, but on the simplest possible molecular system.

Reminds me of this paper pubs.acs.org/doi/10.1021/...

Building a dream team over there!

Lecturer / Assistant Professor of Organic Chemistry, UCD School of Chemistry, Permanent Applications are invited for a permanent post of a Lecturer / Assistant Professor of Organic Chemistry within UCD School of Chemistry. The successful candidate will have research interests in any area of Organic Chemistry, and these include, but are not limited to, the development of novel methods in synthetic chemistry, sustainability, supramolecular chemistry, natural products chemistry, green chemistry, catalysis, and industrial chemistry. The candidate will contribute to our undergraduate and postgraduate taught programmes in particular, curriculum development of our BSc programmes in (a) Chemistry, (b) Medicinal Chemistry & Chemical Biology and (c) Chemistry with Environmental and Sustainable Chemistry. The candidate will supervise and perform cutting edge research and contribute to administration of the school. 95 Lecturer / Assistant Professor (above the bar) 2010 Salary Scale: €64,753 - €102,539 per annum. Appointment will be made on scale and in accordance with the Department of Finance guidelines Closing date: 12:00 noon (local Irish time) on 27/02/2026. Applications must be submitted by the closing date and time specified. Any applications which are still in progress at the closing time of 12:00 noon (Local Irish Time) on the specified closing date will be cancelled automatically by the system. UCD are unable to accept late applications. UCD do not require assistance from Recruitment Agencies. Any CV's submitted by Recruitment Agencies will be returned. Note: Hours of work for academic staff are those as prescribed under Public Service Agreements. For further information please follow link below: https://www.ucd.ie/hr/t4media/Academic%20Contract.pdf

Come be my colleague @ucdchemistry.bsky.social!

We're currently looking for an organic chemist (broadly defined) to start as a permanent (i.e., tenured) assistant professor.

Job reference (www.ucd.ie/workatucd/jo...) is 019237. Due date Feb. 27, 2026

Reach out if you have questions!