Alan Aspuru-Guzik

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	All	Since 2016
Citations	33755	26248
h-index	82	71
i10-index	288	256

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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
Ryan BabbushGoogle ResearchVerified email at google.com
Michael J. AzizGene and Tracy Sykes Professor of Materials and Energy Technologies, Harvard School of EngineeringVerified email at harvard.edu
Jarrod R. McCleanStaff Research Scientist - GoogleVerified email at google.com
Masoud MohseniSenior Research Scientist at GoogleVerified email at google.com
James Daniel WhitfieldDartmouth CollegeVerified email at dartmouth.edu
Peter LoveDepartment of Physics and Astronomy, Tufts UniversityVerified email at tufts.edu
Jonathan RomeroQuantum research scientistVerified email at zapatacomputing.com
Patrick RebentrostCQTVerified email at nus.edu.sg
Florian HäseHarvard University, Vector Institute for Artificial IntelligenceVerified email at g.harvard.edu
Sule Atahan-EvrenkTOBB University of Economics and Technology, Ankara, TurkiyeVerified email at etu.edu.tr
Man-Hong YungSouthern University of Science and Technology; Tsinghua University; Harvard UniversityVerified email at sustech.edu.cn
Roberto Olivares-AmayaVice President of Technology, GNS HealthcareVerified email at gnshealthcare.com
Dmitrij RappoportUniversity of California, IrvineVerified email at uci.edu
Christoph KreisbeckChief Product Officer at KebotixVerified email at kebotix.com
Ryan P. AdamsPrinceton UniversityVerified email at princeton.edu
Joel Yuen-ZhouUniversity of California San DiegoVerified email at mit.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	1881	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	1698	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	1698	2015
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	1142	2008
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	1107	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	1058	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	1058	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	974	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	900	2011
Environment-assisted quantum transport P Rebentrost, M Mohseni, I Kassal, S Lloyd, A Aspuru-Guzik New Journal of Physics 11 (3), 033003, 2009	836	2009
Photonic quantum simulators A Aspuru-Guzik, P Walther Nature physics 8 (4), 285-291, 2012	755	2012
Simulated quantum computation of molecular energies A Aspuru-Guzik, AD Dutoi, PJ Love, M Head-Gordon Science 309 (5741), 1704-1707, 2005	747	2005
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	671	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	596	2010
Scalable quantum simulation of molecular energies PJJ O’Malley, R Babbush, ID Kivlichan, J Romero, JR McClean, ... Physical Review X 6 (3), 031007, 2016	573	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	546	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	480	2012
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	454	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	432	2016
Inverse molecular design using machine learning: Generative models for matter engineering B Sanchez-Lengeling, A Aspuru-Guzik Science 361 (6400), 360-365, 2018	426	2018

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