Alan Aspuru-Guzik

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Semion SaikinKebotix, Inc.Verified email at kebotix.com
Rafael Gómez-BombarelliAssistant Professor, MIT DMSEVerified email at mit.edu
Jorge Aguilera-IparraguirreRecursion PharmaceuticalsVerified email at recursionpharma.com
Michael J. AzizGene and Tracy Sykes Professor of Materials and Energy Technologies, Harvard School of EngineeringVerified email at harvard.edu
Ivan KassalAssociate Professor, School of Chemistry, University of SydneyVerified email at sydney.edu.au
Ryan BabbushHead of Quantum Algorithms - GoogleVerified email at google.com
Jarrod R. McCleanStaff Research Scientist - GoogleVerified email at google.com
Jhonathan Romero FontalvoTeam lead of professional services at Zapata ComputingVerified email at zapatacomputing.com
Peter LoveDepartment of Physics and Astronomy, Tufts UniversityVerified email at tufts.edu
James Daniel WhitfieldDartmouth CollegeVerified email at dartmouth.edu
Man-Hong YungSouthern University of Science and Technology; Tsinghua University; Harvard UniversityVerified email at sustech.edu.cn
Masoud MohseniSenior Research Scientist at GoogleVerified email at google.com
Ryan P. AdamsPrinceton UniversityVerified email at princeton.edu
Christoph KreisbeckChief Product Officer at KebotixVerified email at kebotix.com
Patrick RebentrostCQTVerified email at nus.edu.sg
Sule Atahan-EvrenkTOBB University of Economics and Technology, Ankara, TurkiyeVerified email at etu.edu.tr
David DuvenaudAssistant Professor, University of TorontoVerified email at cs.toronto.edu
Nicolas P. D. SawayaResearch Scientist, Intel CorporationVerified email at intel.com
Süleyman ErGroup Leader at DIFFER | Mission Innovation Champion | eScience Center FellowVerified email at differ.nl
Roberto Olivares-AmayaVice President, Machine LearningVerified email at lifeminetx.com

Alan Aspuru-Guzik

Professor of Chemistry and Computer Science, University of Toronto (starting July 1, 2018)

Verified email at utoronto.ca - Homepage

Theoretical chemistry quantum information science Physical Chemistry Energy Materials Machine Learning


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Convolutional networks on graphs for learning molecular fingerprints DK Duvenaud, D Maclaurin, J Iparraguirre, R Bombarell, T Hirzel, ... Advances in neural information processing systems 28, 2015	3177	2015
Convolutional networks on graphs for learning molecular fingerprints DK Duvenaud, D Maclaurin, J Iparraguirre, R Bombarell, T Hirzel, ... Advances in neural information processing systems 28, 2015	3177	2015
A variational eigenvalue solver on a photonic quantum processor A Peruzzo, J McClean, P Shadbolt, MH Yung, XQ Zhou, PJ Love, ... Nature communications 5 (1), 4213, 2014	2714	2014
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ... Molecular Physics 113 (2), 184-215, 2015	2665	2015
Automatic chemical design using a data-driven continuous representation of molecules R Gómez-Bombarelli, JN Wei, D Duvenaud, JM Hernández-Lobato, ... ACS central science 4 (2), 268-276, 2018	2176	2018
Automatic chemical design using a data-driven continuous representation of molecules R Gómez-Bombarelli, JN Wei, D Duvenaud, JM Hernández-Lobato, ... ACS central science 4 (2), 268-276, 2018	2176	2018
The theory of variational hybrid quantum-classical algorithms JR McClean, J Romero, R Babbush, A Aspuru-Guzik New Journal of Physics 18 (2), 023023, 2016	1514	2016
A metal-free organic–inorganic aqueous flow battery B Huskinson, MP Marshak, C Suh, S Er, MR Gerhardt, CJ Galvin, X Chen, ... Nature 505 (7482), 195-198, 2014	1370	2014
Environment-assisted quantum walks in photosynthetic energy transfer M Mohseni, P Rebentrost, S Lloyd, A Aspuru-Guzik The Journal of chemical physics 129 (17), 11B603, 2008	1288	2008
Simulated quantum computation of molecular energies A Aspuru-Guzik, AD Dutoi, PJ Love, M Head-Gordon Science 309 (5741), 1704-1707, 2005	1145	2005
Inverse molecular design using machine learning: Generative models for matter engineering B Sanchez-Lengeling, A Aspuru-Guzik Science 361 (6400), 360-365, 2018	1064	2018
Tuning charge transport in solution-sheared organic semiconductors using lattice strain G Giri, E Verploegen, SCB Mannsfeld, S Atahan-Evrenk, DH Kim, SY Lee, ... Nature 480 (7378), 504-508, 2011	1058	2011
Scalable quantum simulation of molecular energies PJJ O’Malley, R Babbush, ID Kivlichan, J Romero, JR McClean, ... Physical Review X 6 (3), 031007, 2016	975	2016
Photonic quantum simulators A Aspuru-Guzik, P Walther Nature physics 8 (4), 285-291, 2012	974	2012
Environment-assisted quantum transport P Rebentrost, M Mohseni, I Kassal, S Lloyd, A Aspuru-Guzik New Journal of Physics 11 (3), 033003, 2009	957	2009
Quantum computational chemistry S McArdle, S Endo, A Aspuru-Guzik, SC Benjamin, X Yuan Reviews of Modern Physics 92 (1), 015003, 2020	831	2020
High Electrical Conductivity in Ni₃(2,3,6,7,10,11-hexaiminotriphenylene)₂, a Semiconducting Metal–Organic Graphene Analogue D Sheberla, L Sun, MA Blood-Forsythe, S Er, CR Wade, CK Brozek, ... Journal of the American Chemical Society 136 (25), 8859-8862, 2014	818	2014
Quantum chemistry in the age of quantum computing Y Cao, J Romero, JP Olson, M Degroote, PD Johnson, M Kieferová, ... Chemical reviews 119 (19), 10856-10915, 2019	792	2019
Towards quantum chemistry on a quantum computer BP Lanyon, JD Whitfield, GG Gillett, ME Goggin, MP Almeida, I Kassal, ... Nature chemistry 2 (2), 106-111, 2010	775	2010
Design of efficient molecular organic light-emitting diodes by a high-throughput virtual screening and experimental approach R Gómez-Bombarelli, J Aguilera-Iparraguirre, TD Hirzel, D Duvenaud, ... Nature materials 15 (10), 1120-1127, 2016	726	2016

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