Huge congratulations to Leon Schlosser on defending his PhD! From lab discussions to race days, it’s been a pleasure sharing the journey. EnTDecker is an amazing legacy to leave behind, and we can’t wait to see what you’ll build next. Wishing you all the best for your next chapter! 🏃🏻‍♂️🧪🚀 #PhDone

📢 We're hiring a PhD student (4 years) in computational chemistry at Freie Universität Berlin. Research on molecular dynamics, molecular kinetics, rare events & machine learning. Apply by 3 Aug 2026: jobs.fu-berlin.de/job/Research... #CompChem

Come join the new Novo Nordisk Foundation Center for Protein Design as a group leader Cool science in a great scientific environment in wonderful and very family friendly Copenhagen There are two positions that can either be at TT assistant or associate prof level employment.ku.dk/tenure-track...

Tenure-track Assistant Professor or Associate Professor of De novo Protein Design

The Novo Nordisk Foundation Center for Protein Design at the University of Copenhagen seeks to appoint two new group leaders in de novo protein design from 1 February 2027 or as soon as possible thereafter. These positions will be at the Assistant or Associate Professor level and associated with the Department of Biology (Faculty of Science) or the Department of Drug Design and Pharmacology (Faculty of Health and Medical Sciences).

employment.ku.dk

#PhD position available in our group! 🙏 Share, recommend or apply! :-) For more info and to apply, follow this link: jobs.uzh.ch/job-vacancie... @chem.uzh.ch @juriceklab.bsky.social @snsf.ch #OpenPosition #PhDPosition #ApplyNow #JobOffer #JuricekLab

New preprint: Chemically Intuitive Descriptors for Predicting C–H Borylation Regioselectivity doi.org/10.26434/che... #compchem with Rasmus Borup & @valencekjell.com

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...

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

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/...

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

su.varbi.com

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...

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!

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

Glorius Group@gloriusgroup.bsky.social · 6mo ago

Thrilled to share our hybrid inverse design strategy for discovering organic photocatalysts, now published in @JACS: Accelerating EnT catalyst discovery by bridging generative modeling and experimental validation. 🔥💡 pubs.acs.org/doi/10.1021/...

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...

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...

linkedin.com

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...

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 […]

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

Rocío Mercado Oropeza@rociomer.bsky.social · 8mo ago

We are currently recruiting 2 PhD students to work on AI-driven polymer design and engineering in my team at Chalmers as part of our @erc.europa.eu project POLYGEN. 💻🧪🇸🇪 Please spread the word and share to potentially interested candidates! Apply by: Dec 28, 2025 www.chalmers.se/en/about-cha...

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!

My colleague @silviaosuna.bsky.social has two fully funded #PhD positions available: 👇🏻👇🏻👇🏻👇🏻👇🏻👇🏻👇🏻👇🏻 www.linkedin.com/posts/s%C3%A...

Two fully funded PhD positions (MSCA Doctoral Networks, Horizon Europe) at our group at IQCC, University of Girona (Spain) Many high-value molecules in pharma, agrochemicals, and materials rely on… |...

Two fully funded PhD positions (MSCA Doctoral Networks, Horizon Europe) at our group at IQCC, University of Girona (Spain) Many high-value molecules in pharma, agrochemicals, and materials rely on ch...

linkedin.com

👉 Just 2 weeks left to apply to these positions in our team (AI Lab for Molecular Engineering) in Sweden. Come design polymers with us! To learn more about our team, please visit our group website: ailab.bio

Rocío Mercado Oropeza@rociomer.bsky.social · 8mo ago

We are currently recruiting 2 PhD students to work on AI-driven polymer design and engineering in my team at Chalmers as part of our @erc.europa.eu project POLYGEN. 💻🧪🇸🇪 Please spread the word and share to potentially interested candidates! Apply by: Dec 28, 2025 www.chalmers.se/en/about-cha...

🚀 Our Mini-Symposium on Molecular Machine Learning returns for its 8th Edition! 🤖 💻 🔗Register here: uni-ms.zoom-x.de/webinar/regi... 🗓 Date: January 15th, 2026 🕒 Time: 3:00 PM (UTC+1) 💻 Location: Online | Free of charge #MachineLearning #Chemistry #DataScience #SPP2363

I’m recruiting a PhD student through the UCL EPSRC Landscape Award (UELA) to work on machine learning models for excited-state properties in molecular organic crystals. 🔗 Project details: ucl-epsrc-dtp.github.io/2026-27-proj... 🔗 UELA scheme: www.jobs.ac.uk/job/DPF708/5...

We are currently recruiting 2 PhD students to work on AI-driven polymer design and engineering in my team at Chalmers as part of our @erc.europa.eu project POLYGEN. 💻🧪🇸🇪 Please spread the word and share to potentially interested candidates! Apply by: Dec 28, 2025 www.chalmers.se/en/about-cha...

Subscribe to The Matter Blotter to keep getting updates about our lab’s work. We are ramping up the substack to provide human-written accounts of what the papers are about! Check this week’s about our springs and sticks model by @realmantilla.bsky.social !

The Matter Lab@thematterlab.bsky.social · 8mo ago

This week, The Matter Blotter dives into a recent work that we introduced earlier this year: the Springs and Sticks Model, developed by @realmantilla.bsky.social and @aspuru.bsky.social. 🔗 aspuru.substack.com/p/the-spring... [1/3]

Out now in JACS! We show that under typical Suzuki-Miyaura cross-coupling conditions, bulky ligands can promote palladium-catalyzed protodeboronation. 📜 pubs.acs.org/doi/full/10.... 🖥️ github.com/chertianser/... [1/5]

Bulky Phosphine Ligands Promote Palladium-Catalyzed Protodeboronation

The Suzuki–Miyaura cross-coupling reaction is plagued by protodeboronation, an undesirable side reaction with water that consumes the boronic acid derivatives required for the cross-coupling reaction....

pubs.acs.org

Leon from the @gloriusgroup.bsky.social visited us for 5 months last year to apply generative modeling to energy transfer catalyst discovery. Then he went home and they synthesized and tested his top candidates. Here's the results 🚀

Glorius Group@gloriusgroup.bsky.social · 9mo ago

Preprint alert! 🚨 Excited to share our latest work on generative modelling for accelerating the discovery of organic photocatalysts💡✨ 👉Read more: doi.org/10.26434/che... Congratulations to Leon Schlosser, Nils Rendel, Julius Gemen, @gloriusfrank.bsky.social, and @valencekjell.com

Come join me in Ireland @ucddublin.bsky.social @ucdchemistry.bsky.social! Help us understand the messiness of cross-talk in metal-ion batteries! #BattChat #NewPI #sustainability #electrochem

CoReACTER@coreacter.org · 9mo ago

Please share! The CoReACTER is hiring 1 PhD student (4 years, start date Sept. 1, 2026) to work on multi-scale modeling of reactivity in Li-ion and Na-ion batteries. Apply by Jan. 16, 2026 #PhDjobs #PhDSky #CompChem #WomenInSTEM #LGBTQSTEM #BlackInSTEM #diversityinSTEM #LatinxSTEM #disabledinSTEM

One of the last papers from my postdoc with @aspuru.bsky.social is now out. Led by the tireless @gkwt.bsky.social, it investigates chirality in text-based generative models. Includes a nice simulation-based benchmark task for circular dichroism that I think could be useful to the community.

The Matter Lab@thematterlab.bsky.social · 9mo ago

New paper out in PNAS Nexus! Molecules aren’t flat — so why should our models be?🧬 Our latest work "Stereochemistry-aware string-based molecular generation,” explores how considering stereochemistry changes the way machine learning models design molecules. Link: doi.org/10.1093/pnas... [1/4]

In the believe it or not category: The 3rd edition of Essentials of Computational Chemistry is, lo these 20 years later, under contract... 😮 (Here's hoping my co-authors, to whom I shall afford anonymity until the revised draft is delivered, survive what they signed up for! 😬)

I'm hiring postdocs @berkeleylab.lbl.gov to drive cutting-edge research involving MLIPs, high-throughput workflows, chemical reaction networks, generative models, and open-source software dev. Full position description + application here: forms.gle/zePBZDmciXez... #Chempostdoc #AI4Science