We have a project in the Hutter group Universität Zürich about hybrid quantum-classical embedding that is suitable for a master thesis in chem/phys/materials: chem.uzh.ch/dam/jcr:d6de35… If you know interested students, please forward this link to them. 🙏 Retweets are much appreciated!

Another excellent molecular design study by Jeff (Jeff Guo)! In this work, he shows it's possible to directly optimize for synthesizability in generative molecular design using retrosynthesis models. His approach efficiently generates drug-like molecules optimized for

📢A 2-year postdoc scholarship (Carl-Tryggers Foundation) in theoretical chemistry is available in our group at #KTHuniversity. Focus will be on method development for electronic-spin dependent non-adiabatic molecular dynamics. DM me for further details.

It is great to finally see our work on MLPs for reactions in explicit solvent out! You can find it here: nature.com/articles/s4146… We also wrote a short blog post 'Behind the paper' 👇

it was so much fun & such an honor to chair the computational chemistry GRS with Filip Szczypiński 👨‍🔬🍷 🥹 i’m looking forward to seeing Haley (she/her) and Dennis Svatunek as our fearless seminar leaders in 2026! & huge congrats to Olexandr Isayev 🇺🇦🇺🇸 and Ganna (Anya) Gryn’ova 🇺🇦 for being elected vice chairs!

(🧵1/3) presenting 2 posters at #ICML2024 AI for Science in‼️5 mins‼️on (1) improving protein function representations (2) sample-efficient molecule generation more info in comments below -- come by and say hi! 🤗

Please check our latest article J. Am. Chem. Soc. Discovery of Crystallizable Organic Semiconductors with #MachineLearning Collaboration with Barry Rand’s group Princeton Engineering. Funded by U.S. National Science Foundation #NSFfunded #DMREF program. #compchem pubs.acs.org/doi/10.1021/ja…

Happy birthday, NCCR Catalysis, Swiss National Science Foundation, and Switzerland! 😍🎂🎉🪩 Today, we turn 4 and embark on new adventures in sustainable chemistry with our second funding phase!

We are HIRING!!! PhD students and Postdocs interested in: Comp. Chem. Phys. Org. Chem. Machine Learning for Chem. Please send your CV and letter of motivation to porannegroup /at/ technion.ac.il More info about us here: poranne-group.github.io ChemPostdocBot

My lab at D-CHAB is looking for a motivated PhD student to join our growing group in early 2025. We develop chemical tools for advanced fluorescence microscopy🔬 and work at the interface of synthetic chemistry⚗️ and protein engineering👩‍🔬. Please share tinyurl.com/ynf2d4ae

Job Offer: Assistant Professor (tenure track) in Inorganic Chemistry at University of Geneva Université de Genève Starting date: July 1, 2025 or upon mutual agreement More info: scg.ch/scg-news/news-… #scs #unige #job #inorganic #professor #Switzerland

Absolutely Herculean effort by Cher-Tian Ser to elucidate ligand effects on protodeboronation with relevance for Suzuki couplings! Happy to have played a small part on the computational side.

Our team (fraley.ethz.ch) in D-CHAB and IPW ETH Zurich are embarking on some exciting projects with the opening of our lab this year! Consider attending my inaugural lecture this Sept to hear more about how we integrate #naturalproducts and #biocatalysis into #MedChem

Congratulations to Junwu (Junwu Chen ) and Xu Huang (Xu Huang) on their excellent work! This project, which began during Xu's Bachelor thesis in the LIAC at EPFL co-supervised by Prof. Yulian He from her home university, introduces an innovative approach to

Tenure-track Assistant Professor position for Chemistry-Informed Artificial Intelligence. If your work aligns with ML, chemoinformatics, or AI in chemistry, please check this job opportunity: apply.interfolio.com/148822 Please consider sharing this post. #chemjobs #facultychemjobs

Our review on all things self-driving labs for chem 🧪 and mat sci now at 🏡on Chemical Reviews. Check it out doi.org/10.1021/acs.ch… (free and open-access!🌟) A huge effort led by myself Felix Strieth-Kalthoff Martin Seifrid Alan Aspuru-Guzik, ft. Stefan Schmid and many more 👇

👇looking forward to your application

The AI/ML efforts I'm most optimistic about are the ones that aim to collect more DATA, not more compute and better architectures.

Machine learning (ML) is a hot topic in almost every field, but how can expertise be built up in a discipline developing so quickly? Doctoral students D-CHAB ETH Zurich created the student training format "Data & ML lunch". Learn more in the interview👇 chab.ethz.ch/en/news-and-ev…

A 2-year postdoc position in computational chemistry & ML is available in our group at Université PSL (more info about the project below). Applications can be submitted through the CNRS job portal: emploi.cnrs.fr/Offres/CDD/UMR…. Deadline: Sept 24th. Retweets are appreciated! #chempostdoc