Our Mission

To accelerate the discovery of new chemicals and materials that are useful to society by means of new technologies such as quantum computing, machine learning, and automation.

Our Mission

To accelerate the discovery of new chemicals and materials that are useful to society by means of new technologies such as quantum computing, machine learning, and automation.

research
areas
quantum computing
quantum computing
energy & functional materials
Energy & functional materials
biophysics, molecular computers & other topics
biophysics, molecular computers & other topics
ai for discovery
& self-driving labs
ai for discovery & self-driving labs
electronic structure methods
electronic structure methods
Our research

Our group works at the interface of theoretical chemistry with physics, computer science, and applied mathematics. In particular, we are interested in approaches that can be disruptive to the field.

Click on a bubble to learn more about that research area.

More About Our Research
recent news & publications
April 17, 2020
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News
Publications
ChemistryWorld: Chemists amid coronavirus: Alán Aspuru-Guzik
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February 27, 2020
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Publications
PRNewswire: CDL Matter
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April 23, 2020
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UofT News on MyTrace App
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May 1, 2020
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Publications
QSAR without borders
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April 27, 2020
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News
Publications
From Absorption Spectra to Charge Transfer in Nanoaggregates of Oligomers with Machine Learning
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April 17, 2020
|
News
Publications
A machine learning workflow for molecular analysis: application to melting points
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April 17, 2020
|
News
Publications
ChemistryWorld: Chemists amid coronavirus: Alán Aspuru-Guzik
See All NewsSee All Publications
February 27, 2020
|
News
Publications
PRNewswire: CDL Matter
See All NewsSee All Publications
April 23, 2020
|
News
Publications
UofT News on MyTrace App
See All NewsSee All Publications