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Aron ⇋ e⁻

@aronwalsh.github.io

Virtual Chemist; Liúdramán; Personal Opinions

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Latest posts by Aron ⇋ e⁻ @aronwalsh.github.io

Funnily, that’s the year I took my first DFT class!

14.02.2026 09:48 👍 0 🔁 0 💬 0 📌 0

Apple offer an engraving when you buy online. It was all I could come up with…

13.02.2026 22:38 👍 2 🔁 0 💬 1 📌 0

And a little 🦞 too!

13.02.2026 22:26 👍 1 🔁 0 💬 1 📌 0
An image of an Apple Pencil with “B3LYP/6-31G” engraved

An image of an Apple Pencil with “B3LYP/6-31G” engraved

#CompChem for life

13.02.2026 16:16 👍 20 🔁 3 💬 4 📌 0

I can’t read the article, but “Don’t Trust the Rankings” sounds like a safe bet

13.02.2026 16:14 👍 2 🔁 0 💬 1 📌 0
Next Generation of AI Chemists Programme – aichemy

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...

29.01.2026 14:33 👍 10 🔁 5 💬 0 📌 0
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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...

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...

23.01.2026 15:34 👍 7 🔁 1 💬 0 📌 0
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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...

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...

21.01.2026 14:16 👍 12 🔁 4 💬 2 📌 0
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So happy, new chalk drawing in my lecture room this morning! 🤩 Thanks www.instagram.com/lestableauxd...

09.01.2026 08:10 👍 56 🔁 6 💬 3 📌 1

"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...

02.01.2026 13:25 👍 4 🔁 2 💬 0 📌 0
Photograph of a tile in a Porto church

Photograph of a tile in a Porto church

A winter refresh in Porto #BraggYourPattern

29.12.2025 15:35 👍 19 🔁 2 💬 1 📌 0

Big congratulations! There are great people at Ewha and across the road at Yonsei. A wonderful part of the world to live (I spent a sabbatical there a few years ago), and the density of delicious restaurants in Sinchon is amazing.

15.12.2025 19:15 👍 1 🔁 0 💬 1 📌 0
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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.

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

15.12.2025 08:52 👍 5 🔁 3 💬 1 📌 1

The appropriate Dublin expression is “I’m scarlet”. The YouTube algorithm is a thing of mystery

01.12.2025 03:36 👍 4 🔁 0 💬 0 📌 0
The Sugarcubes - Motorcrash
The Sugarcubes - Motorcrash YouTube video by björk

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...

22.11.2025 17:18 👍 2 🔁 0 💬 0 📌 0
A large crystal structure model of Y1/3TaO3 in a 12x12x2 expansion

A large crystal structure model of Y1/3TaO3 in a 12x12x2 expansion

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

22.11.2025 10:53 👍 38 🔁 5 💬 4 📌 0
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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

21.11.2025 06:51 👍 2688 🔁 942 💬 134 📌 97

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

12.11.2025 19:23 👍 3 🔁 0 💬 0 📌 0

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

12.11.2025 18:58 👍 3 🔁 0 💬 0 📌 0
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‘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.

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

12.11.2025 12:18 👍 34 🔁 7 💬 1 📌 2
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Rust Programming Language A language empowering everyone to build reliable and efficient software.

If I had time to learn another language, it would be rust-lang.org

09.11.2025 16:49 👍 3 🔁 0 💬 2 📌 0

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

04.11.2025 21:16 👍 7 🔁 3 💬 0 📌 0

Very nice! I read this first as "4D" and was hoping for some superspace symmetry, but "4d" is okay too

03.11.2025 08:57 👍 1 🔁 0 💬 1 📌 0
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👋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.

🔗👇

03.11.2025 08:31 👍 20 🔁 5 💬 2 📌 0
Attention Authors: Updated Practice for Review Articles and Position Papers in arXiv CS Category – arXiv blog

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.

01.11.2025 17:28 👍 1572 🔁 606 💬 19 📌 71

Nobody makes enemies by finishing their talk early…

29.10.2025 09:55 👍 220 🔁 31 💬 11 📌 8
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Magnetism in d0 oxides - Nature Materials Oxides of non-magnetic cations exhibit elusive signs of weak temperature-independent ferromagnetism. The effect is associated with surface defects, but it defies conventional explanation. Possible hyp...

The late Mike Coey wrote a nice piece on related effects www.nature.com/articles/s41...

30.10.2025 21:34 👍 8 🔁 0 💬 1 📌 0
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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...

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...

30.10.2025 21:20 👍 15 🔁 1 💬 3 📌 0
Botryoidal aggregates of bright pink spherocobaltite. From the Democratic Republic of the Congo.

Specimen on display in the Natural History Museum, London.

Botryoidal aggregates of bright pink spherocobaltite. From the Democratic Republic of the Congo. Specimen on display in the Natural History Museum, London.

299 of #365Minerals 🧪⚒️

Spherocobaltite:
- A carbonate mineral
- Found in hydrothermal deposits containing cobalt
- Named for its spherical shape and cobalt composition #minerals

26.10.2025 11:33 👍 111 🔁 26 💬 3 📌 5

🤨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

25.10.2025 17:56 👍 14 🔁 4 💬 1 📌 1