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Pyrite + Blender + VMD = a weekend spent trying to figure out what I am doing wrong. 🤦‍♀️#ishouldhavegoneskiing

"... in the Department of Health Sciences and Technology, for example, women make up nearly two thirds of the students." So why doesn't the Department of Health make efforts to increase the amount of men? Shouldn't stereotypes be battled from both sides? ethz.ch/en/news-and-ev…

It's horrifying to think this could happen to anyone, we also use DCM daily. All it takes is one syringe prick.

Sometimes the most weakly-bound tag is not the most innocent. Check out our last journey into #CIVP spectroscopy and #tag_effects. pubs.acs.org/doi/10.1021/ac…

The monumental benchmarking study by my colleagues from the Chen group, to which I was happy to contribute at a later stage, is finally out. pubs.acs.org/doi/10.1021/ac…

Countless numbers of recording attempts, hours of preparation, and a resulting 15-min recording for the #ISMS2021 ISMS. Because I put so much effort to get this (still imperfect) recording, I am thinking of ways to share it publicly. #spectroscopy #CIVP

📣📣We are hiring! Fully-funded PhD and postdoc positions available in our new #compchem group at Technion Israel. Seeking motivated people excited to work at the interface of chemistry and machine learning. Please RT! To apply: n.ethz.ch/~rporanne/rese… (updated website soon)

I uploaded our latest preprint 10 days ago, but didn't really have too much time to detail what's in it, so here goes: We introduce GaUDI - A GUided DIffusion Model for Inverse Design. (Yes, we did indeed add in that "a" to pay homage to a brilliant designer 😉)

Super excited to share my first corresponding author paper on the gas-phase extension of Tolman electronic parameter! pubs.acs.org/doi/10.1021/ac… Special thanks go to Vladimir Gorbachev and our student, Anna Nobile for all the hard work.

Another milestone in our five-year journey in the land of Vitamin B12, now in John Callahan. Special call-out to our computational colleagues: we published CIVP spectra in digital form, so whoever wants to challenge our interpretation can do so more easily. pubs.acs.org/doi/10.1021/ja…

I think I am not ready to embrace the GPT4o yet... Is this just me or does it work considerably worse for scientific content, compared to an earlier GPT4 version? At least GPT4 did not provide illustrations for made up stuff 😅

Our team is looking for a PhD candidate interested in multidisciplinary research on the topic of iron catalysis. Apply via the following link: abg.asso.fr/en/candidatOff… Reposts and retweets to spread the word are very much appreciated!

🚨 Still looking for a host for your #MarieCurie postdoc? 🧪 CSOB team is open to late applications! We're seeking a candidate with strong expertise in #multireference calculations to develop a research program in our group. #ComputationalChemistry #PostdocOpportunity #MSCA