Alan Aspuru-Guzik

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Semion SaikinKebotix, Inc.Verified email at kebotix.com
Rafael Gómez-BombarelliAssociate Professor, MIT DMSEVerified email at mit.edu
Jorge Aguilera-IparraguirreRecursion PharmaceuticalsVerified email at recursionpharma.com
Jarrod R. McCleanSenior Staff Research Scientist - GoogleVerified email at google.com
Ryan BabbushDirector of Research, Quantum Algorithms & Applications - GoogleVerified email at google.com
Michael J. AzizGene and Tracy Sykes Professor of Materials and Energy Technologies, Harvard School of EngineeringVerified email at harvard.edu
Ivan KassalProfessor, School of Chemistry, University of SydneyVerified email at sydney.edu.au
Jhonathan Romero FontalvoDirector, Zapata AIVerified email at zapatacomputing.com
Peter LoveDepartment of Physics and Astronomy, Tufts UniversityVerified email at tufts.edu
Man-Hong YungSouthern University of Science and Technology; Tsinghua University; Harvard UniversityVerified email at sustech.edu.cn
James Daniel WhitfieldDartmouth CollegeVerified email at dartmouth.edu
Ryan P. AdamsPrinceton UniversityVerified email at princeton.edu
Nicolas P. D. SawayaAzulene LabsVerified email at azulenelabs.com
Christoph KreisbeckChief Executive OfficerVerified email at aixelo.com
Masoud MohseniDistinguished Technologist at Hewlett Packard EnterpriseVerified email at hpe.com
David DuvenaudAssociate Professor, University of TorontoVerified email at cs.toronto.edu
Patrick RebentrostCQTVerified email at nus.edu.sg
Sule Atahan-EvrenkTOBB University of Economics and Technology, Ankara, TurkiyeVerified email at etu.edu.tr
Tony C WuAmazonVerified email at utoronto.ca
Süleyman ErDepartment Head & Group Leader at DIFFERVerified email at differ.nl

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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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	4515	2014
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	4331	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	3409	2018
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	3166	2015
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	2284	2016
Inverse molecular design using machine learning: Generative models for matter engineering B Sanchez-Lengeling, A Aspuru-Guzik Science 361 (6400), 360-365, 2018	1646	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	1640	2014
Simulated quantum computation of molecular energies A Aspuru-Guzik, AD Dutoi, PJ Love, M Head-Gordon Science 309 (5741), 1704-1707, 2005	1532	2005
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	1509	2019
Quantum computational chemistry S McArdle, S Endo, A Aspuru-Guzik, SC Benjamin, X Yuan Reviews of Modern Physics 92 (1), 015003, 2020	1502	2020
Noisy intermediate-scale quantum algorithms K Bharti, A Cervera-Lierta, TH Kyaw, T Haug, S Alperin-Lea, A Anand, ... Reviews of Modern Physics 94 (1), 015004, 2022	1461	2022
Environment-assisted quantum walks in photosynthetic energy transfer M Mohseni, P Rebentrost, S Lloyd, A Aspuru-Guzik The Journal of chemical physics 129 (17), 2008	1386	2008
Scalable quantum simulation of molecular energies PJJ O’Malley, R Babbush, ID Kivlichan, J Romero, JR McClean, ... Physical Review X 6 (3), 031007, 2016	1283	2016
Photonic quantum simulators A Aspuru-Guzik, P Walther Nature physics 8 (4), 285-291, 2012	1177	2012
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	1168	2011
Deep learning enables rapid identification of potent DDR1 kinase inhibitors A Zhavoronkov, YA Ivanenkov, A Aliper, MS Veselov, VA Aladinskiy, ... Nature biotechnology 37 (9), 1038-1040, 2019	1061	2019
Environment-assisted quantum transport P Rebentrost, M Mohseni, I Kassal, S Lloyd, A Aspuru-Guzik New Journal of Physics 11 (3), 033003, 2009	1036	2009
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	1030	2014
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	980	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	926	2010

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