This robot must have some stories to tell #Londonmaxxing

A timely and eloquent essay, well worth reading by anyone in science.

Minas Karamanis@minaskar.bsky.social · 4mo ago

Hey, I wrote a thing about AI in astrophysics ergosphere.blog/posts/the-ma...

If you've got something really big - 100,000 atoms, a million atoms? I'd really like to try it out.

Avogadro Project@avogadro.cc · 4mo ago

Avogadro 2.0's rendering was rebuilt for modern GPUs. Smooth even with tens of thousands of atoms. Real-time shadows and ambient occlusion give depth and clarity — and a new layer system lets you hide solvent, toggle styles, and focus on what matters. #opensource #openscience #compchem

Come work with me on generative models for materials at CuspAI! We have: - a fantastic team lead by @wellingmax.bsky.social and @aronwalsh.github.io - important problems and fun methods - offices in beautiful Amsterdam, Cambridge, London, Berlin jobs.ashbyhq.com/cuspai/b8108...

Applied ML Researcher (Generative Models)

Due to growth, we are seeking an experienced Applied ML Researcher (Generative Models)* to join our growing team and build SOTA generative models to design new materials at CuspAI.

jobs.ashbyhq.com

Finally made it to #CCSC2026! Amazing talks this morning (day 3) from @vlderinger.bsky.social @mahrossi.bsky.social @molecularxtal.bsky.social 🤩 great to be here

#CompChem for life

The Next Generation of AI Chemists: a programme for penultimate-year UK-based undergrads from underrepresented backgrounds (women, gender minorities, LGBTQ+, ethnic minority, disability, carers, low socioeconomic background, first in family to uni). #chemsky aichemy.ac.uk/next-generat...

Day 🔟 of the NRMP 5th Anniversary Highlights 🧁 Last, but not least, we chatted with @aronwalsh.github.io to learn more about the trends, opportunities, and challenges in using #AI for material design. 🌟 www.nature.com/articles/s43...

Materials design for the future with AI assistance - Nature Reviews Methods Primers

Advancements in artificial intelligence and machine learning are reshaping scientific research, with notable benefits for materials design and modelling. We spoke with Aron Walsh, Professor in Materia...

nature.com

Defect simulations are notoriously sensitive to the many choices required 👨‍💻📊 In this Perspective, we highlight best practices in calculating 𝘢𝘯𝘥 𝘳𝘦𝘱𝘰𝘳𝘵𝘪𝘯𝘨 defect properties, hoping to establish guidelines for robust, transparent and reproducible defect simulations 🌟 www.nature.com/articles/s41...

Guidelines for robust and reproducible point defect simulations in crystals - Nature Reviews Materials

Point defects critically influence material properties and require accurate computational modelling for reliable predictions. This Perspective outlines best practices for defect simulations using supe...

nature.com

So happy, new chalk drawing in my lecture room this morning! 🤩 Thanks www.instagram.com/lestableauxd...

"Now What?" by John J Hopfield is a beautiful read for researchers at all career stages, and especially so for those who wish not to simply solve problems, but rather identify and solve a PROBLEM -- a kind of the deepest question. pni.princeton.edu/sites/g/file...

A winter refresh in Porto #BraggYourPattern

Come work with us at @cuspai.bsky.social in the generative model team! Excited about flow / diffusion models and chemistry? Looking for impact? jobs.ashbyhq.com/cuspai/b8108... Join a great team lead by @wellingmax.bsky.social and Aron Walsh, work in Amsterdam / Cambridge / London / Berlin. 1/2

Applied ML Researcher (Generative Models)

Due to growth, we are seeking an experienced Applied ML Researcher (Generative Models)* to join our growing team and build SOTA generative models to design new materials at CuspAI.

jobs.ashbyhq.com

Only four decades late to the party, but The Sugarcubes are great. Soundtrack for an afternoon of writing, while watching the rain pour outside www.youtube.com/watch?v=vz9W...

The Sugarcubes - Motorcrash

YouTube video by björk

youtube.com

How could you not love #crystallography? An approximation of the incommensurate structure of Y⅓TaO₃ #ChemSky arxiv.org/pdf/2511.01241

Solar capacity is expected to triple based on new projects in the pipeline. Total global solar capacity, including all projects in construction and planned, is expected to reach almost 3 terawatts, with 80% concentrated in just 15 countries. Data @globalenergymon.bsky.social

"Your invitation to review for..." x n, where n is a number that's larger than you expect #ChemSky

"We have successfully received your letter of recommendation" x n, where n is a number that's larger than you expect #ChemSky

Computer scientist Yoshua Bengio has become the first person to have their work cited more than one million times on the search engine Google Scholar go.nature.com/4oywvUV

‘Godfather of AI’ becomes first person to hit one million citations

The milestone makes machine-learning trailblazer Yoshua Bengio the most cited researcher on Google Scholar.

go.nature.com

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

👋New preprint: "Interplay of Redox Non-Innocence and Symmetry Breaking in a 4d Coordination Framework" 🧪We’ve made Mo(pyz)₂I₂, the 4d cousin of the Cr(pyz)₂X₂ family — with redox-active ligands, symmetry breaking, semiconducting transport, and very strong magnetic interactions. 🔗👇

arXiv will no longer accept review articles and position papers unless they have been accepted at a journal or a conference and complete successful peer review. This is due to being overwhelmed by a hundreds of AI generated papers a month. Yet another open submission process killed by LLMs.

Nobody makes enemies by finishing their talk early…

I am not sure how many solid-state chemists are lurking here, but I bet 10p that CaSnO3 is not magnetic (with or without CO2) pubs.rsc.org/en/Content/A...

Supercritical CO2-modulated phase transition in CaSnO3 from orthorhombic to cubic symmetry for room-temperature ferromagnetism

The advancement of nanotechnology has enabled magnetic nanomaterials to exhibit remarkable potential and application value in medicine, transportation, information storage, and spintronics owing to th...

pubs.rsc.org

299 of #365Minerals 🧪⚒️ Spherocobaltite: - A carbonate mineral - Found in hydrothermal deposits containing cobalt - Named for its spherical shape and cobalt composition #minerals

🤨No & No again! 👉 "Stale Citations" are an integral part of science: to give credit to crucial works of the past, avoiding 'reinventions', being a plague in research, e.g. in #chemsky #pisky Your biased AI Tool to keep "research fresh" is a tombstone of science. Spooky indeed 😱 #researchintegrity

Cactus Communications@cactusglobal.bsky.social · 10mo ago

Check 18 of 26: citations older than a mummy’s wrap. Paperpal Preflight for Editorial Desk highlights outdated references, ensuring research stays fresh, relevant and current. Stale citations belong in history, not in peer review. #ResearchIntegrity #Halloween

So much software reuse is untracked as people cite the software in the SI or because there are upper limits to citations. 🙃 I have never understood this.

Imagine if Alan Turing had access to Claude Code #CompChem

Axel Becke, one of the big names in DFT development over the past 40 years, has passed away #CompChem #ChemSky (source Russell Boyd)

Next Thursday afternoon, 30/10, the @thomasyoungcentre.bsky.social is organising a symposium in London on modelling battery materials with as speakers Marie-Liesse Doublet (Montpellier), Alex Squires (Birmingham) and Benjamin Morgan (Bath).

TYC Symposium: Batteries - THOMAS YOUNG CENTRE

Marie-Liesse Doublet, Montpelier - The Mirage of Anionic Redox for High-Energy Batteries Alexander Squires, Birmingham - Mixed-anion NaTaOxCl6-2x oxychlorides: From crystalline to amorphous networks f...

thomasyoungcentre.org