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Alán Aspuru-Guzik

Affiliations: 
Chemistry and Chemical Biology Harvard University, Cambridge, MA, United States 
Area:
energy transfer in photosynthetic complexes, spectroscopy of molecules in nanoscale environments
Website:
http://aspuru.chem.harvard.edu/about-alan/
Google:
"Alán Aspuru-Guzik"
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Parents

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Carlos Amador-Bedolla research assistant 1999 UNAM
William A. Lester, Jr grad student 2004 UC Berkeley
 (Solving Schrodinger's equation using random walks)
Martin Head-Gordon post-doc 2005-2006 UC Berkeley

Children

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Laszlo Ryan Seress research assistant 2011-2014 Harvard
Ian Dunn research assistant 2012-2014 Harvard
Ryan Babbush grad student Harvard
Jhonathan Romero Fontalvo grad student Harvard
Joseph S. Goodknight grad student 2012- Harvard
Ivan Kassal grad student 2006-2010 Harvard (Physics Tree)
James Daniel Whitfield grad student 2011 Harvard (Astronomy Tree)
Roberto Olivares-Amaya grad student 2012 Harvard
Alejandro Perdomo grad student 2012 Harvard
Frank P. Rebentrost grad student 2012 Harvard
David G. Tempel grad student 2012 Harvard
Joel Yuen-Zhou grad student 2012 Harvard
Sangwoo Shim grad student 2007-2012 Harvard
Stephanie Valleau grad student 2010-2016 Harvard
Samuel M. Blau grad student 2012-2017 Harvard
Sule Atahan-Evrenk post-doc
Joonsuk Huh post-doc Harvard (Physics Tree)
Xavier Andrade post-doc 2010- Harvard
Sarah Mostame post-doc 2010- Harvard
Salvatore Mandra post-doc 2013- Harvard
Zhenpeng Yao post-doc 2018- Harvard
Martin Seifrid post-doc 2019- University of Toronto
Chong Sun post-doc 2021- University of Toronto
Mohsen Bagherimehrab post-doc 2022- University of Toronto (Physics Tree)
Yang Cao post-doc 2022-
John A. Parkhill post-doc 2010-2012 Harvard
Johannes Hachmann post-doc 2009-2014 Harvard
Michael P. Marshak post-doc 2015 Harvard
Edward O Pyzer-Knapp post-doc 2013-2015 Harvard
Rafael Gomez-Bombarelli post-doc 2014-2016 Harvard
Steven A. Lopez post-doc 2015-2017 Harvard
Doran Bennett post-doc 2015-2019 Harvard
Daniel P. Tabor post-doc 2016-2019 Harvard
Pascal Friederich post-doc 2018-2019 University of Toronto
Gabriel dos Passos Gomes post-doc 2019-2021 University of Toronto
Kjell Jorner post-doc 2021-2022 University of Toronto

Collaborators

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Publications

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Nigam A, Pollice R, Friederich P, et al. (2024) Artificial design of organic emitters a genetic algorithm enhanced by a deep neural network. Chemical Science. 15: 2618-2639
Back S, Aspuru-Guzik A, Ceriotti M, et al. (2023) Accelerated chemical science with AI. Digital Discovery. 3: 23-33
Pablo-García S, Morandi S, Vargas-Hernández RA, et al. (2023) Fast evaluation of the adsorption energy of organic molecules on metals via graph neural networks. Nature Computational Science. 3: 433-442
Krasecki VK, Sharma A, Cavell AC, et al. (2023) The Role of Experimental Noise in a Hybrid Classical-Molecular Computer to Solve Combinatorial Optimization Problems. Acs Central Science. 9: 1453-1465
Lo S, Seifrid M, Gaudin T, et al. (2023) Augmenting Polymer Datasets by Iterative Rearrangement. Journal of Chemical Information and Modeling
Kao PY, Yang YC, Chiang WY, et al. (2023) Exploring the Advantages of Quantum Generative Adversarial Networks in Generative Chemistry. Journal of Chemical Information and Modeling
Vargas-Hernández RA, Jorner K, Pollice R, et al. (2023) Inverse molecular design and parameter optimization with Hückel theory using automatic differentiation. The Journal of Chemical Physics. 158: 104801
Ren F, Ding X, Zheng M, et al. (2023) AlphaFold accelerates artificial intelligence powered drug discovery: efficient discovery of a novel CDK20 small molecule inhibitor. Chemical Science. 14: 1443-1452
Wu TC, Aguilar-Granda A, Hotta K, et al. (2022) A Materials Acceleration Platform for Organic Laser Discovery. Advanced Materials (Deerfield Beach, Fla.). e2207070
Krenn M, Ai Q, Barthel S, et al. (2022) SELFIES and the future of molecular string representations. Patterns (New York, N.Y.). 3: 100588
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