Aron ⇋ e⁻
@aronwalsh.github.io
Virtual Chemist; Liúdramán; Personal Opinions
This robot must have some stories to tell #Londonmaxxing
April 5, 2026 at 7:50 PM
This robot must have some stories to tell #Londonmaxxing
Reposted by Aron ⇋ e⁻
A timely and eloquent essay, well worth reading by anyone in science.
Hey, I wrote a thing about AI in astrophysics
ergosphere.blog/posts/the-ma...
ergosphere.blog/posts/the-ma...
The machines are fine. I'm worried about us.
On AI agents, grunt work, and the part of science that isn't replaceable.
ergosphere.blog
April 2, 2026 at 11:22 PM
A timely and eloquent essay, well worth reading by anyone in science.
Reposted by Aron ⇋ e⁻
If you've got something really big - 100,000 atoms, a million atoms? I'd really like to try it out.
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
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
April 2, 2026 at 8:24 PM
If you've got something really big - 100,000 atoms, a million atoms? I'd really like to try it out.
Reposted by Aron ⇋ e⁻
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...
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
March 25, 2026 at 9:41 AM
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...
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...
Reposted by Aron ⇋ e⁻
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
March 12, 2026 at 11:23 AM
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
Reposted by Aron ⇋ e⁻
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...
aichemy.ac.uk/next-generat...
Next Generation of AI Chemists Programme – aichemy
aichemy.ac.uk
January 29, 2026 at 2:34 PM
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...
aichemy.ac.uk/next-generat...
Reposted by Aron ⇋ e⁻
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...
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...
www.nature.com
January 23, 2026 at 3:34 PM
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...
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...
Reposted by Aron ⇋ e⁻
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...
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...
www.nature.com
January 21, 2026 at 2:16 PM
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...
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...
Reposted by Aron ⇋ e⁻
So happy, new chalk drawing in my lecture room this morning! 🤩 Thanks www.instagram.com/lestableauxd...
January 9, 2026 at 8:09 AM
So happy, new chalk drawing in my lecture room this morning! 🤩 Thanks www.instagram.com/lestableauxd...
Reposted by Aron ⇋ e⁻
"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...
pni.princeton.edu/sites/g/file...
pni.princeton.edu
January 2, 2026 at 1:25 PM
"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...
pni.princeton.edu/sites/g/file...
A winter refresh in Porto #BraggYourPattern
December 29, 2025 at 3:35 PM
A winter refresh in Porto #BraggYourPattern
Reposted by Aron ⇋ e⁻
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
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
December 15, 2025 at 8:52 AM
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
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
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
www.youtube.com
November 22, 2025 at 5:18 PM
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...
How could you not love #crystallography? An approximation of the incommensurate structure of Y⅓TaO₃ #ChemSky arxiv.org/pdf/2511.01241
November 22, 2025 at 10:53 AM
How could you not love #crystallography? An approximation of the incommensurate structure of Y⅓TaO₃ #ChemSky arxiv.org/pdf/2511.01241
Reposted by Aron ⇋ e⁻
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
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
November 21, 2025 at 6:51 AM
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
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
Reposted by Aron ⇋ e⁻
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
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
November 12, 2025 at 12:18 PM
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
go.nature.com/4oywvUV
Reposted by Aron ⇋ e⁻
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
forms.gle
November 4, 2025 at 9:16 PM
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
Reposted by Aron ⇋ e⁻
👋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.
🔗👇
🧪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.
🔗👇
November 3, 2025 at 8:31 AM
👋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.
🔗👇
🧪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.
🔗👇
Reposted by Aron ⇋ e⁻
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.
This is due to being overwhelmed by a hundreds of AI generated papers a month.
Yet another open submission process killed by LLMs.
Attention Authors: Updated Practice for Review Articles and Position Papers in arXiv CS Category – arXiv blog
blog.arxiv.org
November 1, 2025 at 5:28 PM
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.
This is due to being overwhelmed by a hundreds of AI generated papers a month.
Yet another open submission process killed by LLMs.
Reposted by Aron ⇋ e⁻
Nobody makes enemies by finishing their talk early…
October 29, 2025 at 9:55 AM
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
October 30, 2025 at 9:20 PM
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...
Reposted by Aron ⇋ e⁻
299 of #365Minerals 🧪⚒️
Spherocobaltite:
- A carbonate mineral
- Found in hydrothermal deposits containing cobalt
- Named for its spherical shape and cobalt composition #minerals
Spherocobaltite:
- A carbonate mineral
- Found in hydrothermal deposits containing cobalt
- Named for its spherical shape and cobalt composition #minerals
October 26, 2025 at 11:33 AM
299 of #365Minerals 🧪⚒️
Spherocobaltite:
- A carbonate mineral
- Found in hydrothermal deposits containing cobalt
- Named for its spherical shape and cobalt composition #minerals
Spherocobaltite:
- A carbonate mineral
- Found in hydrothermal deposits containing cobalt
- Named for its spherical shape and cobalt composition #minerals