I was at the exhibition "Ruin and Rausch, Berlin 1910-1930". Very small exhibition. While core topics were discussed, I missed the connection with history and science.

Tiring decision: was not too tired, decided to watch something interesting and now my brain won't stop thinking. Thus, I won't get much sleep. 🫠

I am so very thankful that my university restricts PhD theses to 100 pages...

To lead, you need a positive vision. A vision that is updated together with all of those that you lead. It can even be a challenging and demanding vision, but it needs to be there.

I find this work very exciting, it addresses what I think is the giant elephant in the MLIP room: influence of our “ground truth” (DFT) on physical properties far down the computational workflow. We all know it exists, but very few studies actually investigate it.

Each year, I am updating my materials informatics lecture. It's a justification to reread core concepts and new literature. The selection that I make is obviously also largely driven by my own interests! Independent of that: It's actually amazing each year to see what has happened in between! 😅

I am organising a 2 day workshop on explainable AI as applied to (bio)chemistry in Copenhagen, June 15-16, 2026. Everyone is invited. No need to register, but lunch is at your own expense. #compchem

I was at Chalmers today, gave a seminar and I took exactly one picture which already shows how many great interactions I had! Thanks again gor the invitation @rociomer.bsky.social and @smnlssn.bsky.social .

In Gothenburg. 😀 Just this week, we also got on of our preprints accepted! Just in time for the seminar and much more!

Tomorrow Thursday May 7th we are excited to welcome @molecularxtal.bsky.social to Chalmers for the AI4Science seminar! #chemsky Her talk is at 15:00 CEST in EDIT Analysen or online (see webpage below for Zoom link): psolsson.github.io/AI4ScienceSe...

Summer semester or the constant fight to improve my lecture... 😅 It is running for the 3rd time now. I am finally okay with the quality but it still needs lots of time.

Don't forget to register for #ML2MD2026! Hope to see you in Uppsala in June for this exciting symposium at the interface of ML and materials discovery. ☀️🧪💻 #chemsky chalmers.ungapped.io/Events/6bdec...

I am quite stressed. The only thing that works is hyperfocusing on something else in parallel. Currently another soap. Thankful for all the help we get/got recently. Really!

Mushy brain. 🫠

Semester started rough. Pollen are killing me this year. And, way too much to do... Of course, I am still improving and changing my lecture. I think I am still investing about a day per week in addition to the lecture day. And, I am in too many commitees.

I am always a bit behind (?) the hype. I use methods that I find suitable for a task rather than testing out a new method.

I have a really hard time to keep up with all the amazing literature and work.

Happy to share the review that @apoorvam.bsky.social, Vanessa and I wrote about recent trends in modeling and simulation of biological phenomena in crowded and cell-like environments! I really like this topic, for me this is the future of #compchem. arxiv.org/abs/2603.26974

Yesterday, I felt as if someone blocked my brain. Today, I learned I might have had some gluten-contaminated oat milk. 👀

Research environment fit is also about visibility: who is chosen to be visible. There has to be some kind of balance/fairness here as well within an institution and it should be coupled to performance. For a high performer, being in the second row all the time doesn't work.

Yesterday was a special day: my PhD student, Nika Melnyk, became Dr. Melnyk! Watching Nika grow into the scientist and person she is today has been a privilege, both scientifically and personally. Huge thanks to examiners Mike Southern and Charles Romain! #ProudSupervisor #CompChem

Just read a German news story: it's really no surprise that single women are most happy. A (famous) man that according to the story created fake porn material of its (famous) wife and distributed it.

That's the vibe I need more of. (just judging from the ad, haven't watched the movie)

Social Media and me: instead of reading this biography, I stare at people talking about useless things. Maybe instead, with this biography, I would find out how to have useful things to say and discuss. 👀

A successful day of #compchem outreach done! Me and @stochasticchemist.bsky.social ran our new "Virtual Crystals" activity to teach some of the ideas behind crystal structure prediction Sadly no photo from the end, but I did remember one at the start #chemsky

Still recovering from the conference week 😅.

A poster award for Katharina Ueltzen at the Chemical Compound Space Conference! So very happy for her and I think it is so very much deserved. She drives the project and I am very lucky to work with her.

Some people: invent a color concept for a conference Me: creates a mess in barely furnished office just by the placement of movable chairs and a movable table. 👀

Some more highlights from the afternoon session yesterday @podewitzlab.bsky.social @thijsstuyver.bsky.social and many more great talks 🤩

And some pictures from today @jtmargraf.bsky.social @joshuaschrier.bsky.social @grynova.bsky.social thanks for a great meeting especially to the organizers 🙏 #CCSC2026

Finally made it to #CCSC2026! Amazing talks this morning (day 3) from @vlderinger.bsky.social @mahrossi.bsky.social @molecularxtal.bsky.social 🤩 great to be here

My last name in Germany: yesterday, I had to spell it. 💀 It is spelled exactly as you pronounce it in German. When I said it in English, it was immediately fine. 🥲

Going to a Physics conference and meeting a few of your fellow Chemistry students from RWTH 😀.

Not everything is perfect in Dresden, for sure. (hello DPG) But I do love that they show so much science news on the tram screens.

I went to a career event as a panelist and speaker today and wasn't sure if it was useful. Nicely enough, someone connected and gave positive feedback.

We're pleased to share this preprint on @chemrxiv.org Towards Foundation Models Trained from Crystal Structure Prediction of the Organic Molecular Solid State 40+ million predicted crystal structures + accurate ML potentials for organic molecular crystals chemrxiv.org/doi/full/10.... 1/10

I am tired... 🫠.

Today, we had the first paper with me as a sole corresponding author accepted after more than a year gap. I was part of really awesome collaborations last year but that's not fully the same.

The next two weeks are again a new version of: How am I going to do all the things I promised to do? 👀 Plus the fact that there is this other war now. As it is Sunday, I will try to ignore at least the first part.

Me to students: I think materials informatics is the most exciting field ever! Students: uhm. Me: YES! Me to students: I had a lot of fun!

Interestingly, travelling to Jena really feels like being much closer to where I grew up (it is indeed closer,. however, still 140 km) Just overheard a student asking her parents which train station she should come to. I am pretty sure her parents live within 10 km from where I grew up

📢 We're hiring a PhD student in ML for Materials Chemistry at Uni Bayreuth! Apply if you're into atomistic simulations and the intersections between physics, chemistry and ML. We offer a great environment in one of the nicest towns in Germany. Apply here: bit.ly/4aPBgE9. #compchem #chemsky

A recording of @vlderinger.bsky.social's excellent talk now available on the Chalmers AI4Science Seminar YouTube Channel, check it out! 🎬 www.youtube.com/watch?v=MWei...

Thank you very much indeed @rociomer.bsky.social and @smnlssn.bsky.social for the opportunity to visit Chalmers, and to speak in this series! #compchem

Next bus strike. Luckily, that is the day i need the Sbahn again...

Has @avogadro.cc helped your research? Teaching? As we prepare Avogadro 2.0 for release this spring, I'm hoping to feature some stories (and citations). #compchem #opensource #openscience ⚗️ Let me know: discuss.avogadro.cc/t/avogadro-s...

Still my fav interaction in the last weeks: the 80+ year old woman at the bus stop that wanted to guess how old I am. She guessed 40. I then told her that someone recently told me I wouldn't even look 30. She then told me that people sometimes try to be nice. 😅 Berlin directness is next level

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 somehow forgot my thyroid medication once this week and I am still affected. Brain only half-working and being cold non-stop. 🙃

In a new preprint, we systematically demonstrate that quantum‑chemical bonding descriptors improve machine‑learning models and yield more accurate, interpretable predictions of bonding‑related material properties, including thermal conductivity. arxiv.org/abs/2602.12109 #compchem