Materials design data science. Futurist luddite. All opinions universal truths.

Newbury, England
Joined December 2016
Interested in predicting the rate performance of battery materials? Then our dataset (published now on @ScientificData) may be highly useful for you. Led by Reshma, with inputs from @keeeto2000 and Avaneesh. @iiscbangalore @iiscmte @ucl @royalsociety doi.org/10.1038/s41597-025-0…
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New arXiv just up in time for MRS. Discovery and recovery of crystalline materials with property-conditioned transformers. Amazing work by Cyprien and a bunch of our buddies. arxiv.org/html/2511.21299v1
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Keith Butler retweeted
We are recruiting for a new Research Associate in Battery Materials Modelling. The position is for 2 years in the first instance and will start early 2026. Please share with any interested candidates!🔋🖥️ jobs.ac.uk/job/DPM189/ra-in-…
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Keith Butler retweeted
🌞 This summer, we funded 14 internships across the AIchemy Hub! From discovering new AI tools to exploring the intersection of chemistry, data, and innovation, our interns made the most of it! 💡 Hear what they had to say about the opportunity 👇 🔗 buff.ly/xfWbVJq
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Our group (agrgroup.org) at @iiscbangalore @chemengiisc seeks PhD candidates to tackle exciting problems in computational catalysis, AI/ML for materials design, and modeling/simulations of nanoporous materials, 2D material synthesis, and interfacial phenomena.
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Interested in learning the latest in ML for materials science, for the third year running CaMMLS is the place to go - from SOAP to LLMs and every acronym in between! More details 👇
🎓 CAMMLS - Applications now open! Join the CAMMLS Training School: Chemical and Materials Machine Learning School 2026 🤖⚗️ 🗓️ Deadline: 26th November 📍 Daresbury Apply now! 🔗 buff.ly/h63c0U1
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Keith Butler retweeted
🎓 CAMMLS - Applications now open! Join the CAMMLS Training School: Chemical and Materials Machine Learning School 2026 🤖⚗️ 🗓️ Deadline: 26th November 📍 Daresbury Apply now! 🔗 buff.ly/h63c0U1
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We’re hiring a postdoc in Materials Chemistry! If you love solid-state synthesis, crystallography (esp. high-pressure!), and computation, join us to help uncover the fundamental chemistry of gold. CV + 1-page cover letter to [email protected] #ChemTwitter #chempostdoc Please share
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Keith Butler retweeted
❄️🚀 Applications are now OPEN! Join us for our Winter School: Robotics & AI for Chemical Materials. 📅 8-12th December 📍 University of Liverpool ⚡ Don’t miss out - apply now! 🔗 buff.ly/tAH79NO
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Check out our latest work on 3D molecular genAI. Collaboration with @NVIDIAAI
Megalodon 🦈 grounds genAI for chemistry in physics: an E(3)‑equivariant transformer considers rotational symmetry while QM‑energy checks keep outputs within ~3 kcal/mol of xTB minima so that nearly every molecule is designed thermodynamically realistic. 🔥⚛️ Try it out today.👇 #AIForScience #DrugDiscovery
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Keith Butler retweeted
🎥 Missed our July webinar? Catch up on Youtube: >_ Prof. Jason Hein – Real-Time Data & Modular Robotics for Scalable Workflow Automation >_ Ram Vijayakrishnan – Autonomous Mobile Robots for Exploratory Synthetic Chemistry Watch here ➡️: buff.ly/B5weswk
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(1/2) What do you need to predict migration barriers in solids (that directly govern rate performance in batteries)? A dataset of known barriers over a wide range of materials, a generalizable graph model, and transfer learning. That's the focus of our just out pre-prints.
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🥵->😎Research job: Using information theory and machine learning to understand and design energy efficient cooling materials. 3 year position @UCLChemistry joined with leading experimental teams from @QMUL and @isisneutronmuon tackling green cooling: jobs.ac.uk/job/DOG081/resear…
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The GPT 5 launch included a chart showing 52.8 as a bigger number than 69.1, which in turn is shown as the same magnitude as 30.8. Not quite ASI…
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Keith Butler retweeted
Want to join our efforts @MSFTResearch AI for Science to push the frontier of AI for materials? We are the team behind MatterGen & MatterSim and we have 2 job openings! Each can be in Amsterdam, NL, Berlin, DE, or Cambridge, UK. It is a rare opportunity to join a highly talented, collaborative team and build the next frontier model for materials design. Senior Researcher: jobs.careers.microsoft.com/g… Senior Research Engineer: jobs.careers.microsoft.com/g…
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Keith Butler retweeted
Upcoming Workshop - RAG Models & AI Agents in Chemical Discovery & Development 📅 19 Sept 9:00 - 17:00 📍 University of Leeds A full-day event exploring the role of RAG LLMs + agentic AI in chemical discovery. ⚠️ Limited spaces - apply by 31 July! 🔗: buff.ly/dFgMv7H
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Keith Butler retweeted
🤖🔬 Into lab automation or curious about robotics in chemistry? Join us for a hands-on workshop introducing OChRA – Open Chemistry Robotics and Automation Framework. 📍 University of Liverpool 🗓️ 30th September 💷 £25 🎟️ Limited spaces 👉 buff.ly/ia84GY0
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Keith Butler retweeted
Our starting point for understanding solid materials is an idealized crysta: all atoms in infinite perfect registry.  However, there are many examples where the entire functionality comes from deviations from this ideal.  The defect is often the device, including in the device on which you are reading this post.
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Keith Butler retweeted
🚨 We’re Hiring! 🚨 A Research Fellow position is available to work in one of the forerunner projects of Alchemy, namely “Human in the Loop”. 📍 Based at University of Liverpool 📅 Deadline: 14th July 2025 ➡️ Apply here: buff.ly/R5XHINR
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*New publication* Delighted to share our review on solid-state battery electrolytes published in @NatRevMater @NaturePortfolio. Led by @jad5888 with contributions from Ana Dutra & Ben Goldmann. Link here: nature.com/articles/s41578-0…
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