Alán Aspuru-Guzik @aspuru.bsky.social · 21/09/2026Come work for @thematterlab.bsky.social with @variniabernales.bsky.social ! See below! 096
Alán Aspuru-Guzik @aspuru.bsky.social · 16/08/2026Acabo de ver un vídeo de Instagram donde se ve como se hacen las pulseritas de hilo de macramé tipo Coyoacán. Y dije “Yo sería un desastre haciendo eso” a lo que mi pareja responde “¡Que bueno que estudiaste!” 100
Alán Aspuru-Guzik @aspuru.bsky.social · 14/08/2026I called an electrician. A “woman” in a “call center with background tying noise” answered but had weird lags and called me “Alan” at the end of each sentence. I realized after 2-3 sentences I was talking to an AI agent. It was proficient enough to take my message but it was very annoying. 1/2 440
Reposted by Alán Aspuru-GuzikDigital Discovery @digital-discovery.rsc.org · 29/07/2026Our 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/ 043
Reposted by Alán Aspuru-GuzikThe Matter Lab @thematterlab.bsky.social · 15/07/2026🎉 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]ieti.net 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 ... 141
Reposted by Alán Aspuru-GuzikThe Matter Lab @thematterlab.bsky.social · 14/07/2026💠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] 1112
Reposted by Alán Aspuru-GuzikUofT Schmidt AI in Science Postdoctoral Fellowship @uoftschmidtai.bsky.social · 24/06/2026📢 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 102
Reposted by Alán Aspuru-GuzikChemical Science @chemicalscience.rsc.org · 17/06/2026Our 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... 073
Reposted by Alán Aspuru-GuzikAcceleration Consortium @accelerationc.bsky.social · 09/06/2026How 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/... 063
Reposted by Alán Aspuru-GuzikUofT Department of Chemistry @chemuoft.bsky.social · 02/06/2026Chemistry Stories: Alán Aspuru-Guzik recognized in BetaKit’s second Most Ambitious issue: uoft.me/ChemistryBet... 031
Alán Aspuru-Guzik @aspuru.bsky.social · 01/06/2026Honoured 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! 1202
Alán Aspuru-Guzik @aspuru.bsky.social · 26/05/2026Many talks about #ElAgente at #CSC2026 ¡Viva elagente.ca !elagente.caEl Agente | Science, UnboundEl Agente - AI-powered scientific discovery platform. Accelerating science by 10X-100X. 043
Reposted by Alán Aspuru-GuzikCanadian Journal of Chemistry @canjchem.bsky.social · 25/05/2026Interested 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 #realtimechemcdnsciencepub.com 104
Reposted by Alán Aspuru-GuzikThe Matter Lab @thematterlab.bsky.social · 22/05/2026From 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] 264
Reposted by Alán Aspuru-GuzikJan H. Jensen @janhjensen.bsky.social · 21/05/2026New 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 061
Reposted by Alán Aspuru-Guzik<Joaquin | Barroso> @joaquinbarroso.bsky.social · 12/05/2026This 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/...link.springer.com25th 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 ... 052
Alán Aspuru-Guzik @aspuru.bsky.social · 04/05/2026Status: Vibecoding with @variniabernales.bsky.social . Stay tuned! 050
Reposted by Alán Aspuru-GuzikThe Matter Lab @thematterlab.bsky.social · 30/04/2026🚀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] 134
Alán Aspuru-Guzik @aspuru.bsky.social · 25/04/2026Paris in one confusion: Q. “Do you have wireless?” A. “Do you want the wine list?” 2100
Reposted by Alán Aspuru-GuzikThe Matter Lab @thematterlab.bsky.social · 24/04/2026Everyone 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 1103
Reposted by Alán Aspuru-GuzikThe Matter Lab @thematterlab.bsky.social · 17/03/2026What 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 143
Reposted by Alán Aspuru-GuzikAaron Rupar @atrupar.com · 06/03/2026Obama: "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" 515244967028
Alán Aspuru-Guzik @aspuru.bsky.social · 27/02/2026Our 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 1151
Alán Aspuru-Guzik @aspuru.bsky.social · 22/02/2026What 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. 060
Reposted by Alán Aspuru-GuzikThe Matter Lab @thematterlab.bsky.social · 06/02/2026The 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] 173
Reposted by Alán Aspuru-GuzikThe Matter Lab @thematterlab.bsky.social · 06/02/2026Our 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] 183
Reposted by Alán Aspuru-GuzikGeoff Hutchison @geoffhutchison.net · 30/01/2026Obviously 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 55812
Reposted by Alán Aspuru-GuzikAcceleration Consortium @accelerationc.bsky.social · 30/01/2026Renovations 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 073
Reposted by Alán Aspuru-GuzikMark Gerretsen @markgerretsen.bsky.social · 22/01/2026What the world thinks of Prime Minister @mark-carney.bsky.social 🇨🇦 109634
Reposted by Alán Aspuru-GuzikChris Hayes @chrislhayes.bsky.social · 20/01/2026This 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. 28762071633
Alán Aspuru-Guzik @aspuru.bsky.social · 18/01/2026En una mañana, a menos diez, me tomé un té. Mitad mate, mitad pu’er. 120
Alán Aspuru-Guzik @aspuru.bsky.social · 11/01/2026New substack post in The Matter Blotter, where we ask you the question: What do you want El Agente to do? Please listen. and let us know! substack.com/@aspuru/note... #compchemsky #chemsky 072
Alán Aspuru-Guzik @aspuru.bsky.social · 08/01/2026Check out work on #digitaltwins of #selfdrivinglabs New work out in Nature Computational Science Enter the MATTERIX! #chemsky #compchemsky #ai #robotics 0103
Reposted by Alán Aspuru-GuzikThe Matter Lab @thematterlab.bsky.social · 06/01/2026Happy New Year! We began the year by reading this amazing Chemistry World article by @robinson-julia.bsky.social on how AI agents are democratising computational chemistry. 🔗 www.chemistryworld.com/news/ai-agen... Image source: © Caroline Chapple, Courtesy of Chemistry World. [1/5] 163
Reposted by Alán Aspuru-GuzikThe Hilbert Space Post @hilbertspacepost.bsky.social · 23/12/2025El Agente Cuántico is a multi-agent AI system that translates natural-language scientific goals into fully executed and validated quantum simulations across diverse software frameworks. @jperezsa.bsky.social , @variniabernales.bsky.social , @aspuru.bsky.social arxiv.org/abs/2512.18847arxiv.orgEl Agente Cuántico: Automating quantum simulationsQuantum simulation is central to understanding and designing quantum systems across physics and chemistry. Yet it has barriers to access from both computational complexity and computational perspectiv... 173
Reposted by Alán Aspuru-GuzikAurora Clark @chemnetworks.bsky.social · 23/12/2025Fun new paper out today! A new tool to explore how electronic density changes during chemical reactions. #compchem pubs.acs.org/doi/10.1021/...pubs.acs.orgElectron Density Transport During Chemical ReactionsStatistical approaches are an increasingly powerful technique for characterizing changes in the electronic structure during reactions or molecular excitations. High-throughput studies in complex envir... 096
Reposted by Alán Aspuru-GuzikMarcel Swart @marcelswart.bsky.social · 24/12/2025This might be a Christmas present for someone looking for a position in #TheoChem #CompChem #ChemJobs Faculty position in Theoretical Chemistry at the University of Liege, Belgium www.uliege.be/cms/c_205421... Via the Psi-K mailing list www.jiscmail.ac.uk/cgi-bin/wa-j...uliege.be 0118
Alán Aspuru-Guzik @aspuru.bsky.social · 15/12/2025Life is what happens in between useless customer service calls, trying to "verify your identity" or "cancel an account".media.tenor.coma cartoon character with an angry look on his face and the words freetopsticker below himALT: a cartoon character with an angry look on his face and the words freetopsticker below him 150
Reposted by Alán Aspuru-GuzikThe Matter Lab @thematterlab.bsky.social · 08/12/2025New in Digital Discovery: An example of shedding light on chemistry via dynamics. 🔗 pubs.rsc.org/en/Content/A... We propose a method that uses dynamics to circumvent a notoriously hard problem when simulating molecules on a quantum computer: the preparation of initial states. [1/6] 182
Reposted by Alán Aspuru-GuzikJoe Fitzsimons @jfitzsimons.bsky.social · 08/12/2025Delighted to see this paper finally out. I had the initial discussion with @aspuru.bsky.social that set us on this path well over a decade ago. Well done to my co-authors who did all the real work. 031
Reposted by Alán Aspuru-GuzikMarcel Swart @marcelswart.bsky.social · 06/12/2025My #Pymol settings Both for research (pymolrc-ms.pml) as for teaching (pymolrc-dib.pml). Teaching part in combination with #CaverWeb and #NCIPlot. www.marcelswart.eu/blog/251201-... #CompChem #ChemSky 1153
Alán Aspuru-Guzik @aspuru.bsky.social · 06/12/2025The obsession with the ground state over dynamical properties is misguided in the field of quantum computing for chemistry. Molecules are dynamic objects not in their ground state. Let’s estimate their properties dynamically! Learn more about it below. #chemsky #compchemsky #quantumcomputing 0253
Reposted by Alán Aspuru-GuzikThe Matter Lab @thematterlab.bsky.social · 03/12/2025Thrilled to share a new review article exploring a rapidly emerging frontier: how state-of-the-art AI is transforming quantum computing (QC). 🔗 www.nature.com/articles/s41... [1/5] 192
Reposted by Alán Aspuru-Guzikorca-qc-official.bsky.social @orca-qc-official.bsky.social · 02/12/2025We are proud to announce that ORCA 6.1.1 has been released and is available here: orcaforum.kofo.mpg.de/app.php/dlex... This is strictly a bugfix release that takes care of the problems that have been reported since the release of ORCA 6.1. The manual has also been updated.orcaforum.kofo.mpg.deORCA Forum - Downloads 1177
Reposted by Alán Aspuru-GuzikPavlo O. Dral @pavlodral.bsky.social · 03/12/2025I am looking forward to participating in Faraday Discussion's Molecular excited states theory and experiment, 14-16 September 2026, Cambridge, UK, rsc.li/excitedstate... Deadline for Oral abstract submissions is 15 December 2025. #compchem #aichem #mlchem 022
Alán Aspuru-Guzik @aspuru.bsky.social · 29/11/2025#compchemsky #chemsky #machinelearning #ai #physicssky #physics 0100
Alán Aspuru-Guzik @aspuru.bsky.social · 29/11/2025Subscribe to The Matter Blotter to keep getting updates about our lab’s work. We are ramping up the substack to provide human-written accounts of what the papers are about! Check this week’s about our springs and sticks model by @realmantilla.bsky.social ! 081