Alán Aspuru-Guzik

Alán Aspuru-Guzik is a professor of chemistry, computer science, chemical engineering and materials science at the University of Toronto. His research group, the matter lab, studies quantum chemistry, AI for chemical and materials discovery, quantum computing and self-driving chemical. He is the co-founder of Kebotix, a company focused on automated chemical and material discovery. He previously cofounded Zapata Computing, which closed in 2024. Provided by Wikipedia
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  1. 1
    You Wouldn’t Download a Molecule! Now, ChemSCAD Makes It Possible

    You Wouldn’t Download a Molecule! Now, ChemSCAD Makes It Possible by Martin Seifrid, Alán Aspuru-Guzik

    Published 2021-01-01
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  2. 2
    Learning More, with Less

    Learning More, with Less by Benjamín Sánchez-Lengeling, Alán Aspuru-Guzik

    Published 2017-04-01
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  3. 3
    The Kitaev–Feynman clock for open quantum systems

    The Kitaev–Feynman clock for open quantum systems by David G Tempel, Alán Aspuru-Guzik

    Published 2014-01-01
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  4. 4
    The Matter Simulation (R)evolution

    The Matter Simulation (R)evolution by Alán Aspuru-Guzik, Roland Lindh, Markus Reiher

    Published 2018-02-01
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  5. 5
    Design of quantum optical experiments with logic artificial intelligence

    Design of quantum optical experiments with logic artificial intelligence by Alba Cervera-Lierta, Mario Krenn, Alán Aspuru-Guzik

    Published 2022-10-01
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  6. 6
    Language models can learn complex molecular distributions

    Language models can learn complex molecular distributions by Daniel Flam-Shepherd, Kevin Zhu, Alán Aspuru-Guzik

    Published 2022-06-01
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  7. 7
    Compressed Sensing for the Fast Computation of Matrices: Application to Molecular Vibrations

    Compressed Sensing for the Fast Computation of Matrices: Application to Molecular Vibrations by Jacob N. Sanders, Xavier Andrade, Alán Aspuru-Guzik

    Published 2015-03-01
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  8. 8
    Faster than classical quantum algorithm for dense formulas of exact satisfiability and occupation problems

    Faster than classical quantum algorithm for dense formulas of exact satisfiability and occupation problems by Salvatore Mandrà, Gian Giacomo Guerreschi, Alán Aspuru-Guzik

    Published 2016-01-01
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  9. 9
    Neural Networks for the Prediction of Organic Chemistry Reactions

    Neural Networks for the Prediction of Organic Chemistry Reactions by Jennifer N. Wei, David Duvenaud, Alán Aspuru-Guzik

    Published 2016-10-01
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  10. 10
    Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models

    Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models by Daniil Polykovskiy, Alexander Zhebrak, Benjamin Sanchez-Lengeling, Sergey Golovanov, Oktai Tatanov, Stanislav Belyaev, Rauf Kurbanov, Aleksey Artamonov, Vladimir Aladinskiy, Mark Veselov, Artur Kadurin, Simon Johansson, Hongming Chen, Sergey Nikolenko, Sergey Nikolenko, Sergey Nikolenko, Alán Aspuru-Guzik, Alán Aspuru-Guzik, Alán Aspuru-Guzik, Alán Aspuru-Guzik, Alex Zhavoronkov

    Published 2020-12-01
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  11. 11
    Efficient quantum circuits for diagonal unitaries without ancillas

    Efficient quantum circuits for diagonal unitaries without ancillas by Jonathan Welch, Daniel Greenbaum, Sarah Mostame, Alan Aspuru-Guzik

    Published 2014-01-01
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  12. 12
    Computer Vision for Recognition of Materials and Vessels in Chemistry Lab Settings and the Vector-LabPics Data Set

    Computer Vision for Recognition of Materials and Vessels in Chemistry Lab Settings and the Vector-LabPics Data Set by Sagi Eppel, Haoping Xu, Mor Bismuth, Alan Aspuru-Guzik

    Published 2020-09-01
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  13. 13
    Phoenics: A Bayesian Optimizer for Chemistry

    Phoenics: A Bayesian Optimizer for Chemistry by Florian Häse, Loïc M. Roch, Christoph Kreisbeck, Alán Aspuru-Guzik

    Published 2018-08-01
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  14. 14
    Automatic Differentiation in Quantum Chemistry with Applications to Fully Variational Hartree–Fock

    Automatic Differentiation in Quantum Chemistry with Applications to Fully Variational Hartree–Fock by Teresa Tamayo-Mendoza, Christoph Kreisbeck, Roland Lindh, Alán Aspuru-Guzik

    Published 2018-05-01
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  15. 15
    The theory of variational hybrid quantum-classical algorithms

    The theory of variational hybrid quantum-classical algorithms by Jarrod R McClean, Jonathan Romero, Ryan Babbush, Alán Aspuru-Guzik

    Published 2016-01-01
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  16. 16
    Chiral Sugars Drive Enantioenrichment in Prebiotic Amino Acid Synthesis

    Chiral Sugars Drive Enantioenrichment in Prebiotic Amino Acid Synthesis by Alexander J. Wagner, Dmitry Yu. Zubarev, Alán Aspuru-Guzik, Donna G. Blackmond

    Published 2017-03-01
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  17. 17
    Self-referencing embedded strings (SELFIES): A 100% robust molecular string representation

    Self-referencing embedded strings (SELFIES): A 100% robust molecular string representation by Mario Krenn, Florian Häse, AkshatKumar Nigam, Pascal Friederich, Alan Aspuru-Guzik

    Published 2020-01-01
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  18. 18
    Correction to “Generative Adversarial Networks for Crystal Structure Prediction”

    Correction to “Generative Adversarial Networks for Crystal Structure Prediction” by Sungwon Kim, Juhwan Noh, Geun Ho Gu, Alan Aspuru-Guzik, Yousung Jung

    Published 2022-03-01
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  19. 19
    Generative Adversarial Networks for Crystal Structure Prediction

    Generative Adversarial Networks for Crystal Structure Prediction by Sungwon Kim, Juhwan Noh, Geun Ho Gu, Alan Aspuru-Guzik, Yousung Jung

    Published 2020-07-01
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  20. 20
    An artificial spiking quantum neuron

    An artificial spiking quantum neuron by Lasse Bjørn Kristensen, Matthias Degroote, Peter Wittek, Alán Aspuru-Guzik, Nikolaj T. Zinner

    Published 2021-04-01
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