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
Masoud MohseniSenior Research Scientist at GoogleVerified email at google.com
Man-Hong YungSouthern University of Science and Technology; Tsinghua University; Harvard UniversityVerified email at sustech.edu.cn
Patrick RebentrostCQTVerified email at nus.edu.sg
Ryan P. AdamsPrinceton UniversityVerified email at princeton.edu
Christoph KreisbeckChief Product Officer at KebotixVerified email at kebotix.com
Süleyman ErHead of Autonomous Energy Materials Discovery [AMD] research group at DIFFERVerified email at differ.nl
Roberto Olivares-AmayaVice President, AI EngineeringVerified email at concertai.com
David DuvenaudAssistant Professor, University of TorontoVerified email at cs.toronto.edu
Sule Atahan-EvrenkTOBB University of Economics and Technology, Ankara, TurkiyeVerified email at etu.edu.tr
Dmitrij RappoportUniversity of California, IrvineVerified email at uci.edu

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	2704	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	2704	2015
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	2462	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), 1-7, 2014	2076	2014
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	1800	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	1800	2018
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	1250	2008
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	1226	2014
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	1197	2016
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	1006	2011
Simulated quantum computation of molecular energies A Aspuru-Guzik, AD Dutoi, PJ Love, M Head-Gordon Science 309 (5741), 1704-1707, 2005	969	2005
Environment-assisted quantum transport P Rebentrost, M Mohseni, I Kassal, S Lloyd, A Aspuru-Guzik New Journal of Physics 11 (3), 033003, 2009	921	2009
Photonic quantum simulators A Aspuru-Guzik, P Walther Nature physics 8 (4), 285-291, 2012	909	2012
Inverse molecular design using machine learning: Generative models for matter engineering B Sanchez-Lengeling, A Aspuru-Guzik Science 361 (6400), 360-365, 2018	861	2018
Scalable quantum simulation of molecular energies PJJ O’Malley, R Babbush, ID Kivlichan, J Romero, JR McClean, ... Physical Review X 6 (3), 031007, 2016	821	2016
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	728	2014
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	694	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	632	2016
Quantum computational chemistry S McArdle, S Endo, A Aspuru-Guzik, SC Benjamin, X Yuan Reviews of Modern Physics 92 (1), 015003, 2020	581	2020
The Harvard clean energy project: large-scale computational screening and design of organic photovoltaics on the world community grid J Hachmann, R Olivares-Amaya, S Atahan-Evrenk, C Amador-Bedolla, ... The Journal of Physical Chemistry Letters 2 (17), 2241-2251, 2011	565	2011

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