Alán Aspuru-Guzik
University of Toronto
664 Papers
4.7K Citations
Alán Aspuru-Guzik is an academic researcher from University of Toronto. The author has contributed to research in topics: Quantum computer & Quantum. The author has an hindex of 97, co-authored 628 publications. Previous affiliations of Alán Aspuru-Guzik include D-Wave Systems & National Autonomous University of Mexico.
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Papers
Zori 1.0: a parallel quantum Monte Carlo electronic structure package.
Alán Aspuru-Guzik,Romelia Salomon-Ferrer,Romelia Salomon-Ferrer,Brian Austin,Brian Austin,Raul Perusquía-Flores,Mary A. Griffin,Ricardo A. Oliva,David Skinner,Dominik Domin,William A. Lester,William A. Lester +11 more
TL;DR: The Zori 1.0 package for electronic structure computations is described, which performs variational and diffusion Monte Carlo computations as well as correlated wave function optimization.
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Beyond Ternary OPV: High-Throughput Experimentation and Self-Driving Laboratories Optimize Multi-Component Systems
Stefan Langner,Florian Häse,José Darío Perea,Tobias Stubhan,Jens Hauch,Loïc M. Roch,Thomas Heumueller,Alán Aspuru-Guzik,Christoph J. Brabec +8 more
TL;DR: In this article, the authors report the development of high-throughput and autonomous experimentation methods for the effective optimization of multi-component polymer blends for organic photovoltaics (OPVs) and introduce a method for automated film formation enabling the fabrication of up to 6048 films per day.
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Oscillatory Active-site Motions Correlate with Kinetic Isotope Effects in Formate Dehydrogenase
Philip Pagano,Qi Guo,Chethya Ranasinghe,Evan Schroeder,Kevin C. Robben,Florian Häse,Hepeng Ye,Kyle Wickersham,Alán Aspuru-Guzik,Alán Aspuru-Guzik,Dan Thomas Major,Lokesh Gakhar,Amnon Kohen,Christopher M. Cheatum +13 more
TL;DR: Experimental evidence is provided for a connection between the temperature dependence of KIEs and motions of the active site in an enzyme-catalyzed reaction consistent with activated tunneling models of the hydride transfer reaction.
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Examination of pigments on Thai manuscripts: the first identification of copper citrate
Katherine Eremin,Jens Stenger,Jo-Fan Huang,Alán Aspuru-Guzik,Theodore A. Betley,Leslie Vogt,Ivan Kassal,Scott A. Speakman,Narayan Khandekar +8 more
TL;DR: In this paper, the authors used Raman spectroscopy and Fourier transform infrared spectrograms (FTIR) to determine the pigments used in Thai manuscripts from the 18th to 20th century.
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Quantum computing without wavefunctions: time-dependent density functional theory for universal quantum computation.
TL;DR: In this paper, it was shown that TDDFT can be extended to a class of qubit Hamiltonians that are universal for quantum computation, which can be used as the basic variables in quantum computation and information theory.