Me trying to get feedback on papers in a world where too many papers exist.

I wonder if I should post more routinely that we do have monthly video meetings for anyone in the @fhi-aims.bsky.social community. The next one is tomorrow, Nov 12, 8:30 am EST. Time and coordinates are routinely posted in the Slack workspace. #compchemsky (in case any FHI-aims users are there)

Just got the notification: 50 Years of the "Horses". It's probably one of my favorite music albums ever. Released only 14 years before I was born.

🎓 Applications are open for the IMAT Centre for Doctoral Training at @oxfordchemistry.bsky.social & @oxfordmaterials.bsky.social! Among many exciting topics, have a look at our projects P10 and P13, both combining MLIPs and #compchem with close experimental collaborations: imatcdt.chem.ox.ac.uk

I have a friend. When I speak with her, my spoken English gets a lot better. It's so interesting. But it doesn't stick. 😅

Falling asleep on a Saturday at 7 pm. 🙃

Reminder that the deadline to apply to these PDRA positions is 11th November.

Today, I found myself in a discussion with some participants who believed that all theoretical predictions were nonsense as they have not all be replicated in the lab. Okay.

Academic life: 1 day conference in a different city, then another appointment the next day 😅. That's the part I hate.

Bus connections Berlin Dresden seem to be much better than the train connections.

Meanwhile Halloween 🎃 #Halloween2025 in #Pittsburgh

My hobbies are so weird that I really don't have any small talk topics.

A new preprint and two firsts: Joana Bustamante's first first-author preprint in our group and us developing a model for thermal conductivity! Feedback welcome! arxiv.org/abs/2510.23133 #compchem

doi.org/10.1063/5.0288278 Abinit 2025: New capabilities for the predictive modeling of solids and nanomaterials. #compchem

I think I now have a way to describe what I am frustrated with in research: "Focusing too much on the adjacent possible."

A new preprint and two firsts: Joana Bustamante's first first-author preprint in our group and us developing a model for thermal conductivity! Feedback welcome! arxiv.org/abs/2510.23133 #compchem

Made it to the Eiffeltower today 😅. Only took 1 h to get there from South of Berlin

Made it to the Eiffeltower today 😅. Only took 1 h to get there from South of Berlin

So much software reuse is untracked as people cite the software in the SI or because there are upper limits to citations. 🙃 I have never understood this.

Axel Becke, one of the big names in DFT development over the past 40 years, has passed away #CompChem #ChemSky (source Russell Boyd)

In Shenzhen (China) for the SMART Symposium in #compchem.

Imagine if Alan Turing had access to Claude Code #CompChem

A good couple of days catching up on the latest Turbomole developments in beautiful Augsburg #compchem

“We fundamentally believe that publishing less – but better – is essential for the health of the entire research system worldwide,” the authors of the report state.

Two weeks left to apply for an ML #postdoc position with me in @dublincityuni.bsky.social #CompChem #cheminformatics #ChemJobs #chemsky www.linkedin.com/jobs/view/43...

Really happy to see my PhD work now published in Crystal Growth & Design with @micheleceriotti.bsky.social and @graemeday.bsky.social I worked on this through the whole PhD journey and its really nice to have it out and share it! pubs.acs.org/doi/10.1021/... #compchem #chemsky

Made a short trip to Switzerland by train. 😅 Third time this year. 😅

The surprise in today's economic and political situation is surprising to me. Like you couldn't anticipate a lot of it. 🙃 It's like when extreme covid waves came as predicted and everyone acted surprised that it was really as bad as predicted. WHY.

Currently reading "The genesis of technoscientific revolutions" as part of my personal challenge to provide more impact with my research. Nicely enough, I can both follow the science and the philosophy parts. I guess i have enough passive knowledge on both fields. 😀

Maybe, that's me: but what i love about Berlin is how it connects so much history (good and bad). I started my day walking by Fritz Haber institute (southwest of Berlin), then passed by Potsdamer Platz (former border) to go to the very Northeast of Berlin.

Congratulations to Eimear on passing her PhD viva this afternoon! Thanks to Keith Butler and Alex Ganose for examining. #compchem #chemsky

🚨 Three PDRA posts @imperialchemistry.bsky.social with me + collaborators to transform materials discovery. Focus: 💻 Comp Chem 🤖 AI in Chem 🧠 Neurosymbolic Learning 🗓️ Apply by 11 Nov 2025 🔗 jobs.ac.uk/job/DPB378 (click "Apply" to find individual post details) #chemsky #compchem #chempostdoc

Innovation needs a certain institutional culture. A Culture to go beyond what everyone else is doing. A culture to explore unusual routes.

🚀 Exciting PhD in Manchester! Work with Andrew Leach, Lia Sotorrios & me, plus a placement at MedChemica Ltd. Combine computational chemistry, AI & drug design to explore how generative AI can accelerate new medicine discovery. #CompChem #PhDStudentship 📩 www.findaphd.com/phds/project...

Great opening of vdW/L Discussions by Jean-Pierre Djukic at a great venue @uni.lu #compchem

Was mir fehlt: Bold Ideas. Fast and efficiently implemented. Was ich kriege: Ein Dokument, noch ein Dokument.

Kann ich dir Nobelpreiswoche nochmals sehen? 🫠

Ich habe schon das dritte mal den Fernseher wieder angestellt, nachdem er sich automatisch ausgeschaltet hatte, weil ich es nicht geschafft hatte, irgendein Programm anzustellen. 🙃

🙃🫠

You love to see it #chemsky #crystallography #dna

Close to submission of another paper. 🤞

I also burned through 4 non-science books within 2 weeks but I now have to prepare a few talks again. 🫠

I'd rather be involved in a project where I'm one of many than constantly reinventing the wheel.

Completly sleep-deprived. 🫩

Ooooof, my brain. 🙃 Not sure if I have done anything useful today, but i certainly was able to remove some tasks from my todo list. 🫩

We have updated our preprint on ChemRxiv discussing GW-BSE calculations on CdS zincblende 'quantum dots' #chemsky #compchem doi.org/10.26434/che...

Not sure this was intended as a materials discovery sign... but it is now #chemsky #compchemsky

For anyone near the Research Triangle (North Carolina): The groups of Yosuke Kanai and ours will be organizing a Theory Training Workshop - primarily intended for incoming graduate students or postdoc but open to anyone (subject to capacity): hybrid3.duke.edu/workshops/20... #chemsky #compchemsky

Thanks to everyone that submitted an abstract 🙌🏻. ⚠️Don't forget to complete your payment before October 10th: ➡️ jtms2025.sciencesconf.org @reseauscf.bsky.social @sfp-physique.bsky.social @cecamevents.bsky.social @icmcb.bsky.social @icgmmontpellier.bsky.social @univbordeaux.bsky.social

That's a first for me: Conference Logo in 3D and with light 🤩. I love it.