The Matter Lab
@thematterlab.bsky.social
The materials for tomorrow, today.
We are the Matter Lab at the University of Toronto, led by Professor Alán Aspuru-Guzik. Our group works at the interface of theoretical chemistry with physics, computer science, and applied mathematics.
We are the Matter Lab at the University of Toronto, led by Professor Alán Aspuru-Guzik. Our group works at the interface of theoretical chemistry with physics, computer science, and applied mathematics.
New in Digital Discovery - Computer Vision Tutorial For Materials Design
High-throughput synthesis has scaled. Characterization hasn’t.
If you work in materials synthesis, characterization, or lab automation, this tutorial is for you.
📃 pubs.rsc.org/en/content/a...
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High-throughput synthesis has scaled. Characterization hasn’t.
If you work in materials synthesis, characterization, or lab automation, this tutorial is for you.
📃 pubs.rsc.org/en/content/a...
[1/6]
January 15, 2026 at 8:09 PM
New in Digital Discovery - Computer Vision Tutorial For Materials Design
High-throughput synthesis has scaled. Characterization hasn’t.
If you work in materials synthesis, characterization, or lab automation, this tutorial is for you.
📃 pubs.rsc.org/en/content/a...
[1/6]
High-throughput synthesis has scaled. Characterization hasn’t.
If you work in materials synthesis, characterization, or lab automation, this tutorial is for you.
📃 pubs.rsc.org/en/content/a...
[1/6]
🧪🤖 New paper in Nature Computer Science!
What if you could design, test, and refine automated chemistry workflows before touching the lab?
We present “MATTERIX: toward a digital twin for robotics-assisted chemistry laboratory automation”.
🔗 www.nature.com/articles/s43...
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What if you could design, test, and refine automated chemistry workflows before touching the lab?
We present “MATTERIX: toward a digital twin for robotics-assisted chemistry laboratory automation”.
🔗 www.nature.com/articles/s43...
[1/6]
January 8, 2026 at 10:28 AM
🧪🤖 New paper in Nature Computer Science!
What if you could design, test, and refine automated chemistry workflows before touching the lab?
We present “MATTERIX: toward a digital twin for robotics-assisted chemistry laboratory automation”.
🔗 www.nature.com/articles/s43...
[1/6]
What if you could design, test, and refine automated chemistry workflows before touching the lab?
We present “MATTERIX: toward a digital twin for robotics-assisted chemistry laboratory automation”.
🔗 www.nature.com/articles/s43...
[1/6]
Happy 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.
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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.
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January 6, 2026 at 4:34 AM
Happy 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.
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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.
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Reposted by The Matter Lab
📢 @aicooper.bsky.social, @aspuru.bsky.social, @animesh-garg.bsky.social and colleagues introduce MATTERIX, a GPU-accelerated framework for high-fidelity digital twins and workflows of chemistry labs. www.nature.com/articles/s43... #chemsky
🔓 rdcu.be/eXGQM
🔓 rdcu.be/eXGQM
MATTERIX: toward a digital twin for robotics-assisted chemistry laboratory automation - Nature Computational Science
MATTERIX, a multiscale graphics processing unit-accelerated framework for high-fidelity digital twins and workflows of chemistry laboratories, is presented, simulating robot and device operation, flui...
www.nature.com
January 5, 2026 at 7:35 PM
📢 @aicooper.bsky.social, @aspuru.bsky.social, @animesh-garg.bsky.social and colleagues introduce MATTERIX, a GPU-accelerated framework for high-fidelity digital twins and workflows of chemistry labs. www.nature.com/articles/s43... #chemsky
🔓 rdcu.be/eXGQM
🔓 rdcu.be/eXGQM
Reposted by The Matter Lab
Our first joint paper with @thematterlab.bsky.social is out: www.nature.com/articles/s43...
MATTERIX: toward a digital twin for robotics-assisted chemistry laboratory automation - Nature Computational Science
MATTERIX, a multiscale graphics processing unit-accelerated framework for high-fidelity digital twins and workflows of chemistry laboratories, is presented, simulating robot and device operation, flui...
www.nature.com
January 5, 2026 at 9:56 AM
Our first joint paper with @thematterlab.bsky.social is out: www.nature.com/articles/s43...
Reposted by The Matter Lab
A year in review: Take a peek at what we've been up to and what we have planned for 2026.
accelerationconsortium.substack.com/p/a-year-in-...
Wishing everyone a peaceful holiday season and all the best for the year ahead!
accelerationconsortium.substack.com/p/a-year-in-...
Wishing everyone a peaceful holiday season and all the best for the year ahead!
A year in review
A look back at 2025 and what’s ahead at the Acceleration Consortium (AC).
accelerationconsortium.substack.com
December 23, 2025 at 7:27 PM
A year in review: Take a peek at what we've been up to and what we have planned for 2026.
accelerationconsortium.substack.com/p/a-year-in-...
Wishing everyone a peaceful holiday season and all the best for the year ahead!
accelerationconsortium.substack.com/p/a-year-in-...
Wishing everyone a peaceful holiday season and all the best for the year ahead!
We're honoured to have more than 550 subscribers since we re-launched The Matter Blotter 🤯
We have many more blog posts in the works, so subscribe here if you want to be in the loop: aspuru.substack.com
We have many more blog posts in the works, so subscribe here if you want to be in the loop: aspuru.substack.com
December 18, 2025 at 10:20 PM
We're honoured to have more than 550 subscribers since we re-launched The Matter Blotter 🤯
We have many more blog posts in the works, so subscribe here if you want to be in the loop: aspuru.substack.com
We have many more blog posts in the works, so subscribe here if you want to be in the loop: aspuru.substack.com
🔬 This week on The Matter Blotter, @gkwt.bsky.social presents: Ranking Models for Bayesian Optimization, a different way to think about Bayesian Optimization for self-driven molecular discovery.
👀 aspuru.substack.com/p/ranking-mo...
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👀 aspuru.substack.com/p/ranking-mo...
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December 18, 2025 at 10:17 PM
🔬 This week on The Matter Blotter, @gkwt.bsky.social presents: Ranking Models for Bayesian Optimization, a different way to think about Bayesian Optimization for self-driven molecular discovery.
👀 aspuru.substack.com/p/ranking-mo...
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👀 aspuru.substack.com/p/ranking-mo...
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Reposted by The Matter Lab
Congrats to Benjamin Sanchez-Lengeling + Weilai Yu of @utoronto.ca's Chemical Engineering department, who were both awarded $750K to accelerate materials discovery!
Learn more: acceleration.utoronto.ca/news/acceler...
Learn more: acceleration.utoronto.ca/news/acceler...
December 16, 2025 at 8:53 PM
Congrats to Benjamin Sanchez-Lengeling + Weilai Yu of @utoronto.ca's Chemical Engineering department, who were both awarded $750K to accelerate materials discovery!
Learn more: acceleration.utoronto.ca/news/acceler...
Learn more: acceleration.utoronto.ca/news/acceler...
Excited to share that our January paper, “Quantum-computing-enhanced algorithm unveils potential KRAS inhibitors” has been recognized by Nature Biotechnology as one of the journal’s Top 10 research articles of 2025, and selected as the December cover article.
📜 www.nature.com/articles/s41...
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📜 www.nature.com/articles/s41...
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December 15, 2025 at 5:10 PM
Excited to share that our January paper, “Quantum-computing-enhanced algorithm unveils potential KRAS inhibitors” has been recognized by Nature Biotechnology as one of the journal’s Top 10 research articles of 2025, and selected as the December cover article.
📜 www.nature.com/articles/s41...
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📜 www.nature.com/articles/s41...
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Reposted by The Matter Lab
Funding alert! 💰 Calling all #socialscience and #humanities researchers at @utoronto.ca interested in exploring the ethical, legal + economic consequences of speeding up science with AI + automation.
Join our info session on January 14, 10:30–11:30 AM: airtable.com/appYBjHgttvB...
Join our info session on January 14, 10:30–11:30 AM: airtable.com/appYBjHgttvB...
December 9, 2025 at 4:58 PM
Funding alert! 💰 Calling all #socialscience and #humanities researchers at @utoronto.ca interested in exploring the ethical, legal + economic consequences of speeding up science with AI + automation.
Join our info session on January 14, 10:30–11:30 AM: airtable.com/appYBjHgttvB...
Join our info session on January 14, 10:30–11:30 AM: airtable.com/appYBjHgttvB...
New 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.
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🔗 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]
December 8, 2025 at 3:37 PM
New 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]
🔗 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]
Reposted by The Matter Lab
The Acceleration Consortium will be an exhibitor the Toronto Public Library AI Summit on Dec 6! Join us at North York Central Library for insights into AI’s impact on the economy: www.eventbrite.ca/e/ai-summit-...
December 5, 2025 at 9:11 PM
The Acceleration Consortium will be an exhibitor the Toronto Public Library AI Summit on Dec 6! Join us at North York Central Library for insights into AI’s impact on the economy: www.eventbrite.ca/e/ai-summit-...
Now in Science: Cracking quantum chemistry with quantum computers - a new perspective article by Philipp Schleich and @aspuru.bsky.social
🔗 www.science.org/doi/epdf/10....
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🔗 www.science.org/doi/epdf/10....
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Cracking chemistry with quantum simulations
Dynamic characteristics of complex chemical reactions can be accurately modeled by a quantum computer
www.science.org
December 5, 2025 at 9:04 PM
Now in Science: Cracking quantum chemistry with quantum computers - a new perspective article by Philipp Schleich and @aspuru.bsky.social
🔗 www.science.org/doi/epdf/10....
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🔗 www.science.org/doi/epdf/10....
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🎯 In this week’s Matter Blotter, @zijian-zhang.bsky.social breaks down a milestone that pushes AI agents far beyond software automation into the heart of experimental quantum computing.
🔗 aspuru.substack.com/p/ai-agents-...
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🔗 aspuru.substack.com/p/ai-agents-...
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December 5, 2025 at 8:02 PM
🎯 In this week’s Matter Blotter, @zijian-zhang.bsky.social breaks down a milestone that pushes AI agents far beyond software automation into the heart of experimental quantum computing.
🔗 aspuru.substack.com/p/ai-agents-...
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🔗 aspuru.substack.com/p/ai-agents-...
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Reposted by The Matter Lab
We're championing translational research via a new grant program in collaboration with partners UBC! From AI methods for smarter self-driving labs to next-gen electrochemistry, these projects are shaping the future of science.
Meet the grant recipients: acceleration.utoronto.ca/news/meet-th...
Meet the grant recipients: acceleration.utoronto.ca/news/meet-th...
December 4, 2025 at 6:14 PM
We're championing translational research via a new grant program in collaboration with partners UBC! From AI methods for smarter self-driving labs to next-gen electrochemistry, these projects are shaping the future of science.
Meet the grant recipients: acceleration.utoronto.ca/news/meet-th...
Meet the grant recipients: acceleration.utoronto.ca/news/meet-th...
Reposted by The Matter Lab
We’re thrilled to partner with the Institute for Functional Intelligent Materials at the National University of Singapore
to host AI4X – Accelerate in Singapore June 15–19, 2026
Sign up for more info: zr2z766pxls.typeform.com/AI4XAC26?typ...
Submit abstract by Jan 16, 2026: ai4x.cc/call-for-sub...
to host AI4X – Accelerate in Singapore June 15–19, 2026
Sign up for more info: zr2z766pxls.typeform.com/AI4XAC26?typ...
Submit abstract by Jan 16, 2026: ai4x.cc/call-for-sub...
December 2, 2025 at 5:15 PM
We’re thrilled to partner with the Institute for Functional Intelligent Materials at the National University of Singapore
to host AI4X – Accelerate in Singapore June 15–19, 2026
Sign up for more info: zr2z766pxls.typeform.com/AI4XAC26?typ...
Submit abstract by Jan 16, 2026: ai4x.cc/call-for-sub...
to host AI4X – Accelerate in Singapore June 15–19, 2026
Sign up for more info: zr2z766pxls.typeform.com/AI4XAC26?typ...
Submit abstract by Jan 16, 2026: ai4x.cc/call-for-sub...
Reposted by The Matter Lab
I 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
Deadline for Oral abstract submissions is 15 December 2025.
#compchem #aichem #mlchem
December 3, 2025 at 5:26 AM
I 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
Deadline for Oral abstract submissions is 15 December 2025.
#compchem #aichem #mlchem
Thrilled 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...
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🔗 www.nature.com/articles/s41...
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December 3, 2025 at 5:26 PM
Thrilled 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...
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🔗 www.nature.com/articles/s41...
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Reposted by The Matter Lab
“Very often, people will tell you 10,000 reasons why something cannot be done. But, in the Acceleration Consortium, there’s a culture of ‘yes we can.’” - Milica Radisic, AC scientific leadership team
🔬 Read more on @torontolifemag.bsky.social: torontolife.com/deep-dives/t...
🔬 Read more on @torontolifemag.bsky.social: torontolife.com/deep-dives/t...
The Magic Lab: How chemist and computer scientist Alán Aspuru-Guzik brought self-driving laboratories from Harvard to Toronto - Toronto Life
Alán Aspuru-Guzik and his multinational team of mad scientists are combining chemistry, robotics and AI to fight climate change, streamline organ transplants...
torontolife.com
December 3, 2025 at 4:02 PM
“Very often, people will tell you 10,000 reasons why something cannot be done. But, in the Acceleration Consortium, there’s a culture of ‘yes we can.’” - Milica Radisic, AC scientific leadership team
🔬 Read more on @torontolifemag.bsky.social: torontolife.com/deep-dives/t...
🔬 Read more on @torontolifemag.bsky.social: torontolife.com/deep-dives/t...
This week, The Matter Blotter dives into a recent work that we introduced earlier this year: the Springs and Sticks Model, developed by @realmantilla.bsky.social and @aspuru.bsky.social.
🔗 aspuru.substack.com/p/the-spring...
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🔗 aspuru.substack.com/p/the-spring...
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November 28, 2025 at 8:13 PM
This week, The Matter Blotter dives into a recent work that we introduced earlier this year: the Springs and Sticks Model, developed by @realmantilla.bsky.social and @aspuru.bsky.social.
🔗 aspuru.substack.com/p/the-spring...
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🔗 aspuru.substack.com/p/the-spring...
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Coming soon to Chemical Science:
SynTwins: A Retrosynthesis-Guided Framework for Synthesizable Molecular Analog Generation
📜 arxiv.org/abs/2507.02752
By Shuan Chen, Gunwook Nam, @aspuru.bsky.social, and Yousung Jung.
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SynTwins: A Retrosynthesis-Guided Framework for Synthesizable Molecular Analog Generation
📜 arxiv.org/abs/2507.02752
By Shuan Chen, Gunwook Nam, @aspuru.bsky.social, and Yousung Jung.
[1/5]
November 28, 2025 at 7:07 PM
Coming soon to Chemical Science:
SynTwins: A Retrosynthesis-Guided Framework for Synthesizable Molecular Analog Generation
📜 arxiv.org/abs/2507.02752
By Shuan Chen, Gunwook Nam, @aspuru.bsky.social, and Yousung Jung.
[1/5]
SynTwins: A Retrosynthesis-Guided Framework for Synthesizable Molecular Analog Generation
📜 arxiv.org/abs/2507.02752
By Shuan Chen, Gunwook Nam, @aspuru.bsky.social, and Yousung Jung.
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Reposted by The Matter Lab
The 2025 Accelerate Conference was our biggest yet! We welcomed 435 attendees from nearly 20 countries to
@marsdd.bsky.social & @torontosri.bsky.social on the @utoronto.ca campus.
Take a look back: acceleration.utoronto.ca/news/acceler...
@marsdd.bsky.social & @torontosri.bsky.social on the @utoronto.ca campus.
Take a look back: acceleration.utoronto.ca/news/acceler...
November 28, 2025 at 4:47 PM
The 2025 Accelerate Conference was our biggest yet! We welcomed 435 attendees from nearly 20 countries to
@marsdd.bsky.social & @torontosri.bsky.social on the @utoronto.ca campus.
Take a look back: acceleration.utoronto.ca/news/acceler...
@marsdd.bsky.social & @torontosri.bsky.social on the @utoronto.ca campus.
Take a look back: acceleration.utoronto.ca/news/acceler...
Thrilled to share the results of a great collaboration from Cinvestav Mérida, Cinvestav Zacatenco, and the University of Toronto:
Grammar-Driven SMILES Standardization with TokenSMILES.
📜 pubs.rsc.org/en/content/a...
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Grammar-Driven SMILES Standardization with TokenSMILES.
📜 pubs.rsc.org/en/content/a...
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November 21, 2025 at 8:12 PM
Thrilled to share the results of a great collaboration from Cinvestav Mérida, Cinvestav Zacatenco, and the University of Toronto:
Grammar-Driven SMILES Standardization with TokenSMILES.
📜 pubs.rsc.org/en/content/a...
[1/6]
Grammar-Driven SMILES Standardization with TokenSMILES.
📜 pubs.rsc.org/en/content/a...
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