Our new Digital Discovery themed collection on ‘Quantum Computing for Chemistry, Material Science and Biotechnology’ has now been published online! Read this collection at the link below: blogs.rsc.org/dd/ddquant25/
Alán Aspuru-Guzik
@aspuru.bsky.social
Professor of Chemistry and Computer Science University of Toronto Faculty member, Vector Institute Director, Acceleration Consortium Senior Director of Quantum Chemistry NVIDIA My views expressed here are personal and are not those of my employers.
🎉 We are proud to congratulate our lab director, @aspuru.bsky.social, on his election as an IETI Distinguished Fellow (DFIETI) in the 12th Annual Class of IETI Fellows for 2026. Official announcement: www.ieti.net/news/detail.... [1/4]
International Engineering and Technology Institute
International Engineering and Technology Institute (IETI) is the non-profit organization (no membership fees) that promotes the innovations of Science, Engineering and Technology across the world. In ...
ieti.net
💠Introducing Clari, a generative model to predict organic crystal structure in seconds, enabling virtual screening of organic molecules on the basis of solid-state properties. 📜 arxiv.org/abs/2606.03199 👩💻 huggingface.co/the-matter-l... 💻 github.com/aspuru-guzik... [1/4]
📢 Join our Schmidt AI in Science Program Information Session! 🗓️ August 5th, 2026 ⏰ 11:00 AM–12:00 PM 💻 Virtual Hear directly from current fellows as they share their experiences, insights, and tips! 👉Register here: forms.office.com/r/nQiRgKU0EU
Our 2026 Chemical Science Lectureship Winner Alán Aspuru-Guzik @aspuru.bsky.social will be speaking at the Chemical Science Symposium on the 29-30th October! Further information on the event, as well as how to register or submit a poster abstract can be found here: rsc.li/chemscisymp2...
How will AI & chemistry intersect in 2050? And what does the future hold for science in the age of AI? AC Director @aspuru.bsky.social explores the history of chemistry & materials science to imagine the future & a possible new era of materials by design. Read the essay: amacad.org/publication/...
Chemistry Stories: Alán Aspuru-Guzik recognized in BetaKit’s second Most Ambitious issue: uoft.me/ChemistryBet...
Honoured to give the Chemical @chemicalscience.rsc.org lectureship this Fall! I am especially fond of this recognition as I was the first theoretical/computational associate editor when the journal was in its early days. Glad to come back full circle and give this lecture!
Chemical Science@chemicalscience.rsc.org · 2mo ago📢 We are delighted to announce that Professor Alán Aspuru-Guzik @aspuru.bsky.social has won the 2026 Chemical Science Lectureship! (rsc.li/chemsci-lectureship26) Alán will deliver his Lectureship at the 2026 #ChemSciSymposium on 29–30 October in London, UK: rsc.li/chemscisymp2026 #ChemSky #🧪
Interested in Editorship? CanJChem is seeking Associate Editors to oversee submissions, make editorial decisions, and contribute to the journal's direction and growth. See details and apply here ▶️ cdnsciencepub.com/do/10.1139/n... #ChemSky #realtimechem
cdnsciencepub.com
From alchemy to AI-chemy: how will AI reshape the future of chemistry and materials discovery? In Dædalus, @aspuru.bsky.social reflects on the relationship between matter, minds, and tools, from the rise of modern chemistry to today’s AI-driven systems. 🔗 www.amacad.org/publication/... [1/4]
New preprint: Computational Prediction of Substrate Scope of a Homogeneous Catalyst: The Case of Metal-free C-H Borylation by a Frustrated Lewis Pair Catalyst doi.org/10.26434/che... #compchem
This is great news! The 25th edition of the Mexican Meeting on Theoretical Physical Chemistry (RMFQT) is in one year and getting closer! A special number at Theoretical Chemistry Accounts is currently accepting contributions. Let's celebrate the #CompChem Fiesta! link.springer.com/collections/...
25th edition of the Mexican Meeting on Theoretical Physical Chemistry (RMFQT)
For over a quarter of a century, the Mexican Meeting on Theoretical Physical Chemistry (RMFQT) has served primarily as a national forum, with an increasingly ...
link.springer.com
Juan Carlos Sancho-García@quantumalicante.bsky.social · 3mo agoTheoretical Chemistry Accouts (@springer.springernature.com) collaborates with the Mexican Meeting on Theoretical Physical Chemistry (RMFQT) celebrating its 25th edition. Ready for submissions! Thank to @joaquinbarroso.bsky.social for leading the first steps #theochem #compchem #quantumchem
Status: Vibecoding with @variniabernales.bsky.social . Stay tuned!
🚀Excited to share our latest work: “Optimizing ground state preparation protocols with autoresearch”. We explore how language-model coding agents can automate the optimization of ground-state preparation protocols in quantum computing & classical quantum simulation. 🔗 arxiv.org/abs/2604.25610 [1/4]
Paris in one confusion: Q. “Do you have wireless?” A. “Do you want the wine list?”
Everyone is racing to build agents for science, but what how about letting scientific agents build themselves? Here we built El Agente Forjador where agents forge ⚒️ their own tools on demand for quantum chemistry and quantum dynamics. 📜 arxiv.org/abs/2604.14609
What if AI could write quantum circuits to help us design next-generation materials? We’re excited to share our new preprint: "Auger Spectroscopy via Generative Quantum Eigensolver: A Quantum Approach to Molecular Excitations". 📃 arxiv.org/abs/2603.12859
Obama: "We are living in a time where it can be hard to hope. Each day we wake up to some new assault on our democratic institutions. Another setback to the idea of the rule of law ... but this man - Rev. Jesse Jackson - inspires us to take a harder path ... bc if we don't step up, nobody else will"
Our work on MōLE, our AI approach to learn the coupled cluster wave function to accelerate quantum chemsitry is out now! #ai4science #compchemsky #chemsky #ai @thematterlab.bsky.social
The Matter Lab@thematterlab.bsky.social · 5mo agoCoupled cluster is the gold standard of quantum chemistry, but its steep scaling limits its routine use. We introduce the MōLe model, the first equivariant neural architecture that directly predicts CC excitation amplitudes from Hartree-Fock molecular orbitals. 📃 arxiv.org/abs/2602.20232 [1/7]
What the white eagle doesn’t understand is that the águila real (Iztcuahtlli), the cóndor (Kuntur), and the goose (Niska) share the continent. And that they together are stronger the any bald-eagle (gringo) bully.
Brent Toderian@brenttoderian.bsky.social · 5mo agoIf you’re wondering why most of the world hates the United States these days, and was cheering for Canada. This is from the White House, for God’s sake.
The future of quantum chemistry research is being redefined today. After 8 months of exploration and hard work, we are thrilled to introduce two agents for chemistry: ⚛️ El Agente Quntur for quantum computing, and 🔬 El Agente Estructural for molecular geometry generation and manipulation. [1/7]
Our second agent, El Agente Estructural (“Structural” in Spanish) is a multimodal, natural-language–driven agent for molecular geometry generation and manipulation. 🔗 www.arxiv.org/abs/2602.048... [1/7]
The Matter Lab@thematterlab.bsky.social · 6mo agoThe future of quantum chemistry research is being redefined today. After 8 months of exploration and hard work, we are thrilled to introduce two agents for chemistry: ⚛️ El Agente Quntur for quantum computing, and 🔬 El Agente Estructural for molecular geometry generation and manipulation. [1/7]
Obviously a lot is going on (gestures widely) Amid chaos, I cope by doing *something* -- anything. Lately, it's been coding for @avogadro.cc because it feels like some small change I can do myself For *years* I've wanted to show electron density volumes .. little clouds ☁️☁️ #compchem
Renovations are really coming along at #UofT's Lash Miller building! This updated building will be the central hub of the Acceleration Consortium and our centre for materials research and innovation! @chemuoft.bsky.social @utoronto.ca @aspuru.bsky.social
What the world thinks of Prime Minister @mark-carney.bsky.social 🇨🇦
This is the best speech, just from a pure rhetoric perspective - its sophistication and persuasiveness - that I've seen a politician deliver in a good long while. Really recommend watching or reading the whole thing.
Melissa Stewart@melissastewart.bsky.social · 7mo agoA YouTube link for those looking for it. No words. youtu.be/btqHDhO4h10?...
En una mañana, a menos diez, me tomé un té. Mitad mate, mitad pu’er.