My book chapter reviewing the use of ML to predict chemical reactivity is now published! 🎉 It explores how data-driven methods are transforming the field, with a focus on catalysis and the key challenges.
Check it out: doi.org/10.1002/9783527847068.ch07
@valencekjell.com @dcl-ethz.bsky.social
24.07.2025 08:28 — 👍 4 🔁 2 💬 0 📌 0
PhD position in digital ligand engineering for nanocatalysis
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...
10.12.2024 15:29 — 👍 13 🔁 7 💬 0 📌 1
Postdoc position in reactive machine learning potentials
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...
21.11.2024 12:43 — 👍 62 🔁 34 💬 0 📌 5
Postdoctoral Fellow at @thematterlab.bsky.social with @aspuru.bsky.social | PhD in Theoretical Chemistry | ex FCI scholar & Digital Chemistry @merckgroup.bsky.social
Digital Chemistry Laboratory at @ethzurich.bsky.social
Part of NCCR Catalysis and ETH AI Center
Led by @valencekjell.com
Accelerating chemical discovery with digital tools
The materials for tomorrow, today.
We are the Matter Lab at the University of Toronto, led by Professor Alán Aspuru-Guzik. Our group works at the interface of theoretical chemistry with physics, computer science, and applied mathematics.
Surface Science @ ETH Zurich / @coperetgroup.bsky.social | CH, DE
Research Focus on Catalysis, Spectroscopy & Computational Chemistry
Master student @ ETH Zurich
Visiting Student @ MIT and Broad Institute
Working on machine learning for drug discovery and bringing all of chemistry into the age of big data and AI
Connecting life sciences in Zurich: research, education, innovation, and science outreach at UZH & ETH Zurich. 🌱🔬✨
https://www.lifescience-zurich.uzh.ch/en.html
Mostly science related. Occasional gardening to be feared. "Aren't you the guy who built that robot?"
PhD student @SchwallerGroup @EPFL | Previously intern at Max Planck Institute for Mathematics in the Sciences.
#AI and #Materials #Chemistry #Catalysis
I like to travel sometimes! 🇨🇴
the gomes group @ CMU
chemical {designers | engineers | data scientists} crunching bits into matter since Jan 2022.
Exploring how the smallest shapes the biggest @ ETH Zurich.
Somewhere between Physics, Chemistry, and ML.
Master student @ ETHZ
AI x Chemistry
Quantum chemist turned machine learning enjoyer. Curious about most things!
Generative models for chemistry and materials science
Currently PhD student at ETH Zürich
Previously Dunia, MIT, EPFL, RWTH Aachen
Machine learning in Python • Open Source
https://scikit-learn.org
Doctoral Researcher in the Digital Chemistry Laboratory at ETH Zurich | ESOP 2021 Scholar | MSc Chemistry ETH Zurich | Accelerated catalyst discovery with AI
PhD student @MIT ChemE & CompSci
MSc ETH Chemistry @ETH Zurich
prev ML scientist @entalpicai
passionate about spectroscopy, improv theatre, and everything in between.
PhD Student at ETH Zurich, working on generative models for biology
Head of Sci/cofounder at futurehouse.org. Prof of chem eng at UofR (on sabbatical). Automating science with AI and robots in biology. Corvid enthusiast
