Thank you for the shout-out! I hope you enjoyed it! :)

Interesting puzzle: I often find it useful to cut it into pieces one by one, both for visualisation and analysis. Is that a cyclohexane at one end? Its conformation looks like a boat for both; is that the lowest energy conformation?

🚀 Join us for the 8th AI in Chemistry event!
📅 22–24 Sept 2025 | Churchill College, Cambridge + virtual
🎤 15 speakers | 🧪 47 posters | 👥 100+ delegates

✨ Space still open for exhibitors & attendees!
💡 Pre-meeting workshop with Pat Walters & Andrea Volkamer!

👉 lnkd.in/d89JiRQt
#AIChem25

Huge thanks to the organisers for the invitation and for making ISMCS especially family-friendly with nursery options. Brilliant science and a stunning location.
Looking forward to visiting Kyoto again!

Had a fantastic time in Kyoto last week! It was a pleasure to present @Tomasz's work on supramolecular catalysis (in collaboration with the Lusby group) at #ISMSC2025 and @juraskova-ver.bsky.social and Hanwen's work on reactive MLIPs at #MQM2025

Best of luck Hanwen in this new chapter! Sad to see you going, but delighted that you will be sharing your expertise with many more people. Hanwen has done amazing work with us on MLIPs, including extending it to condense phase reactivity and developing mlp-train: github.com/duartegroup/....

Choose Science. Choose Europe.

A new Marie Skłodowska-Curie Actions Postdoctoral Fellowships 2025 call is now open.

With a budget of €404.3 million, it will support around 1,650 researchers from Europe and beyond.

Apply by 10 September → europa.eu/!fBTMgF

Congratulations, @lynnkamerlin.bsky.social 🎉 So well deserved!

Delighted to see our latest collaborative work with the Lusby group at The University of Edinburgh, further expanding the catalytic repertoire of supramolecular Pd2L4 #cages #compchem work led by Tomasz Piskorz, who has brilliantly solved the many puzzles along the way!
pubs.acs.org/doi/10.1021/...

Women in research need the credit & recognition they deserve for the amazing contributions they make.
Nature Awards for Inspiring Women in Science are open for applications - take a look 👇🏻 & help spread the word
#WomeninSTEM #AcademicSky 🧪
@natureportfolio.nature.com
www.nature.com/immersive/in...

1 week left to apply for this fully funded #compchem PhD opportunity part of the EU Marie Curie Doctoral Network, “CATALOOP”
🗓 Deadline: 31/01/2025
📥 How to Apply: submit your application via the university portal shorturl.at/nHyAo

The project involves close collaboration with experimentalists as part of the EU Marie Curie Doctoral Network, “CATALOOP.” For more details about the network 👉 www.tu-chemnitz.de/cataloop/CAT...

We are seeking an outstanding #PhD candidate to join our team (www.duartegroupchem.org)! If you know potential candidates interested in combining #ML and #compchem reaction modelling for catalyst design, please share this opportunity with them!
🗓 Deadline: 31/01/25
📥 Application: shorturl.at/nHyAo

PhD opportunity! Interested in #compchem, organic materials e.g. #graphene, chemical #machine_learning? Want to be a part of a dynamic research family? Apply for a PhD @uobchemistry.bsky.social in our group. Deadline 3.2.2025, UK home fees, email me for details! #PhDjobs #PhDchemistry

Thank you very much for the invitation. I look forward to joining this event. Until then, I wish everyone happy holidays🎄!

Online Symposium on Molecular Machine Learning on January 16th, organized by the Glorius Group at @unimuenster.bsky.social - with @fjduarte.bsky.social, @kulikgroup.bsky.social, Bingqing Cheng, Matthew Sigman: www.uni-muenster.de/Chemie.oc/gl.... Registration is free and highly recommended!