Alán Aspuru-Guzik
Alán Aspuru-Guzik is a researcher who applies AI, quantum computing and robotics to chemistry and materials discovery. He earned a B.Sc. at UNAM and a PhD at UC Berkeley, then began his academic career at Harvard and moved his lab to Toronto in 2018. There, he directed the Acceleration Consortium’s self-driving-lab work, including a 2024 international campaign for organic laser molecules and the Matter Lab’s 2025 El Agente chemistry system. He coauthored a quantum chemistry solver and received the 2025 Heinrich Emanuel Merck Award; as of October 2026, he is NVIDIA’s Senior Director of Quantum Chemistry.
- Now at
- NVIDIA
- Born
- 1976
- Badges
- Links
- Google Scholar and LinkedIn
Years link to their sources.
Timeline
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1999–2006
A degree and Berkeley PhD
He earns a B.Sc. from the National Autonomous University of Mexico (UNAM) in 1999 and a PhD from the University of California, Berkeley in 2004. At Berkeley, he completes a postdoctoral fellowship from 2005 to 2006.
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2006–2018
Harvard faculty career
At Harvard, he begins his independent career in 2006 and becomes a full professor in 2013, serving through 2018.
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2013
A solver for quantum chemistry
In 2013, he coauthors a variational eigenvalue solver that uses a photonic quantum processor to calculate the He-H+ ground-state molecular energy within chemical accuracy.
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March 2018
Joining Toronto and Vector
In March 2018, he moves with his research team to a new lab at the University of Toronto, accepts joint appointments in chemistry and computer science, and joins the Vector Institute faculty.
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2023
Leading the Acceleration Consortium
In 2023, he directs the University of Toronto’s Acceleration Consortium as it receives a $200-million grant for self-driving labs. The labs combine artificial intelligence, robotics and advanced computing to discover new materials and molecules.
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2024
Self-driving organic lasers
In 2024, six teams across five labs on three continents use self-driving labs with AI and automation to discover new molecules for organic solid-state lasers.
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May–June 2025
El Agente and a Merck Award
In May 2025, the Matter Lab introduces El Agente, an LLM-powered multi-agent system for computational chemistry. In June 2025, he receives the Heinrich Emanuel Merck Award for Computational Sciences.
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As of October 2026
Senior Director at NVIDIA
As of October 2026, he is NVIDIA’s Senior Director of Quantum Chemistry. His research there spans quantum computing, artificial intelligence and chemistry, including quantum algorithms, fast chemistry simulation, self-driving laboratories, robotics and generative models for materials design and drug discovery.
Career
- Since 2026NVIDIASenior Director of Quantum Chemistry
- From 2018University of TorontoJoint Appointments in Chemistry and Computer Science, Director
- From 2018Vector InstituteFaculty
- 2006–2018Harvard UniversityFull Professor
- 2005–2006University of California, BerkeleyPostdoctoral Fellow
Education
Sources and credits
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- About Alán
- A variational eigenvalue solver on a quantum processor
- Mission to Revolutionize Modern-Day Chemistry Labs Leads Vector’s Newest Faculty Member to Canada
- U of T receives $200-million grant to support Acceleration Consortium’s ‘self-driving labs’ research
- “Delocalized, Asynchronous, Closed-Loop Discovery of Organic Laser Emitters” demonstrates the AC’s global leadership in self-driving labs
- Meet El Agente, an autonomous AI for performing computational chemistry
- Alán Aspuru-Guzik honoured with Heinrich Emanuel Merck Award for Computational Sciences
- Alán Aspuru-Guzik | Research




