We are recruiting a PhD student in machine learning for photocatalysis! In this project, we will collaborate with the group of Frank Glorius @gloriusgroup.bsky.social to develop predictive tools for energy-transfer-catalyzed photocycloadditions. Reposts appreciated! jobs.ethz.ch/job/view/JOP...

PhD position in machine learning for photocatalysis

jobs.ethz.ch

Many Congrats to @ybraegger.bsky.social, Ann-Sophie Paschke, Nima Nasiri, Bence Botlik and Francesco Felician for this masterpiece! Oxidative amination by nitrogen atom insertion into carbon-carbon double bonds in Science, @ethzurich.bsky.social. www.science.org/doi/10.1126/...

Oxidative amination by nitrogen atom insertion into carbon-carbon double bonds

The synthesis of nitrogen-containing molecules through carbon–nitrogen (C–N) bond formation is critical for the discovery and preparation of medicines, agrochemicals, and materials. Here, we report th...

science.org

🚀 Looking for reaction conditions that work well for multiple substrates? CurryBO can help🍛 Now out on arXiv: arxiv.org/abs/2502.18966 A short explanation thread 👇

One Set to Rule Them All: How to Obtain General Chemical Conditions via Bayesian Optimization over Curried Functions

General parameters are highly desirable in the natural sciences - e.g., chemical reaction conditions that enable high yields across a range of related transformations. This has a significant practical...

arxiv.org

Inverse Design of Singlet-Fission Materials with Uncertainty-Controlled Genetic Optimization doi.org/10.1002/anie... #compchem

Inverse Design of Singlet‐Fission Materials with Uncertainty‐Controlled Genetic Optimization

We uncover candidates for singlet fission using a machine learning-driven uncertainty-controlled genetic algorithm (ucGA), which is run either in an exploitative or explorative manner. Leveraging a f...

doi.org

My first post here on #bsky – what better occasion than our group's first preprint? BoTier (Multiobjective Optimization with Multiple Tiers of Objectives) is now on arXiv. This project was actually born out of necessity – more details in the 🧵 below. Please check it out! arxiv.org/abs/2501.15554

BoTier: Multi-Objective Bayesian Optimization with Tiered Composite Objectives

Scientific optimization problems are usually concerned with balancing multiple competing objectives, which come as preferences over both the outcomes of an experiment (e.g. maximize the reaction yield...

arxiv.org

Digital Chemistry Laboratory is excited to be on BlueSky 👋 We are a research group at ETH Zurich led by @valencekjell.com that develops digital solutions to chemical problems in catalysis and molecular design 🖥️ 🧪 More about us: dcl.ethz.ch See you here for the news and research updates!

Homepage - DCL

dcl.ethz.ch

Come and join a growing and exciting effort at the @uoft.bsky.social on #ai for #materialsdiscovery #chemsky as #assistantprofessor Please reshare massively

@profvlilienfeld.bsky.social · 2y ago

Faculty position doing AI for materials discovery! Come join us at the @uoftmse @uoft.bsky.social jobs.utoronto.ca/job/Toronto-... Plenty of exciting opportunities in the GTA and with @acceleration_c and @vectorinst.bsky.social in particular! Please share and retweet!

Another chance to join our group! We are recruiting a PhD student in digital ligand engineering for nanocatalysis. Reposts and spreading the word to interested people in your network appreciated! jobs.ethz.ch/job/view/JOP...

PhD position in digital ligand engineering for nanocatalysis

jobs.ethz.ch

I will be at #NeurIPS next week, presenting work on Bayesian Optimization over curried functions at the AI4Mat workshop. We use it to identify general reaction conditions (see below) If you are around and interested in talking #BayesOpt or #AI4Science, let’s meet

Here's a first: I'm hiring a PhD student. If you have (or know someone who has) a strong background and interest in computational (bio)chemistry or computer science (especially 3D computer vision), let's work together 😊 www.wur.nl/nl/vacature/...

PhD student - Machine learning in bio- and cheminformatics

wur.nl

We are hiring (resharing appreciated)! Given recent successful grant applications (I got my SNSF Starting Grant 🚀), we are extending the LIAC team with multiple openings (PhD/postdoc) for 2025. Apply now (deadline: December 20th) by filling in this form: forms.fillout.com/t/eq5ADAw3kkus. #ChemSky

Come be my colleague and let‘s do cool science together 💻🧪 Also, ping me if you want to know more about life in the Group and Zurich

Kjell Jorner@valencekjell.com · 2y ago

What better first post than to advertise this position. Come join our group! Our group is recruiting a postdoctoral researcher for a project on reactive machine learning potentials. Reposts and spreading the word to interested people in your network appreciated! jobs.ethz.ch/job/view/JOP...