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
Ivan KassalAssociate Professor, School of Chemistry, University of SydneyVerified email at sydney.edu.au
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
Ryan BabbushGoogle ResearchVerified email at google.com
Jarrod R. McCleanStaff Research Scientist - GoogleVerified email at google.com
Masoud MohseniSenior Research Scientist at GoogleVerified email at google.com
Jonathan RomeroQuantum research scientistVerified email at zapatacomputing.com
Florian HäseHarvard University, Vector Institute for Artificial IntelligenceVerified email at g.harvard.edu
James Daniel WhitfieldDartmouth CollegeVerified email at dartmouth.edu
Peter LoveDepartment of Physics and Astronomy, Tufts UniversityVerified email at tufts.edu
Patrick RebentrostCQTVerified email at nus.edu.sg
Man-Hong YungSouthern University of Science and Technology; Tsinghua University; Harvard UniversityVerified email at sustech.edu.cn
Sule Atahan-EvrenkTOBB University of Economics and Technology, Ankara, TurkiyeVerified email at etu.edu.tr
Roberto Olivares-AmayaVice President, AI EngineeringVerified email at concertai.com
Christoph KreisbeckChief Product Officer at KebotixVerified email at kebotix.com
Süleyman ErGroup Lead - Autonomous Energy Materials Discovery [AMD] - DIFFER and CCERVerified email at differ.nl
Dmitrij RappoportUniversity of California, IrvineVerified email at uci.edu
Ryan P. AdamsPrinceton UniversityVerified email at princeton.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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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	1987	2015
Convolutional networks on graphs for learning molecular fingerprints D Duvenaud, D Maclaurin, J Aguilera-Iparraguirre, R Gómez-Bombarelli, ... arXiv preprint arXiv:1509.09292, 2015	1832	2015
Convolutional networks on graphs for learning molecular fingerprints D Duvenaud, D Maclaurin, J Aguilera-Iparraguirre, R Gómez-Bombarelli, ... arXiv preprint arXiv:1509.09292, 2015	1832	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	1258	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	1168	2008
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	1142	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	1142	2018
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	1018	2014
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	916	2011
Environment-assisted quantum transport P Rebentrost, M Mohseni, I Kassal, S Lloyd, A Aspuru-Guzik New Journal of Physics 11 (3), 033003, 2009	857	2009
Simulated quantum computation of molecular energies A Aspuru-Guzik, AD Dutoi, PJ Love, M Head-Gordon Science 309 (5741), 1704-1707, 2005	797	2005
Photonic quantum simulators A Aspuru-Guzik, P Walther Nature physics 8 (4), 285-291, 2012	784	2012
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	762	2016
Scalable quantum simulation of molecular energies PJJ O’Malley, R Babbush, ID Kivlichan, J Romero, JR McClean, ... Physical Review X 6 (3), 031007, 2016	622	2016
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	617	2010
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	584	2014
Observation of topologically protected bound states in photonic quantum walks T Kitagawa, MA Broome, A Fedrizzi, MS Rudner, E Berg, I Kassal, ... Nature communications 3 (1), 1-7, 2012	492	2012
Inverse molecular design using machine learning: Generative models for matter engineering B Sanchez-Lengeling, A Aspuru-Guzik Science 361 (6400), 360-365, 2018	486	2018
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	469	2011
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	468	2016

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