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Alan Aspuru-Guzik
Alan Aspuru-Guzik
Professor of Chemistry and Computer Science, University of Toronto (starting July 1, 2018)
Preverjeni e-poštni naslov na utoronto.ca - Domača stran
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Leto
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
49212014
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
45392015
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
37382018
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
32392015
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
24642016
Inverse molecular design using machine learning: Generative models for matter engineering
B Sanchez-Lengeling, A Aspuru-Guzik
Science 361 (6400), 360-365, 2018
18062018
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
16982014
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
16652022
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
16652019
Quantum computational chemistry
S McArdle, S Endo, A Aspuru-Guzik, SC Benjamin, X Yuan
Reviews of Modern Physics 92 (1), 015003, 2020
16562020
Simulated quantum computation of molecular energies
A Aspuru-Guzik, AD Dutoi, PJ Love, M Head-Gordon
Science 309 (5741), 1704-1707, 2005
16272005
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
14182008
Scalable quantum simulation of molecular energies
PJJ O’Malley, R Babbush, ID Kivlichan, J Romero, JR McClean, ...
Physical Review X 6 (3), 031007, 2016
13452016
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
12102019
Photonic quantum simulators
A Aspuru-Guzik, P Walther
Nature physics 8 (4), 285-291, 2012
12072012
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
11852011
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
10862014
Environment-assisted quantum transport
P Rebentrost, M Mohseni, I Kassal, S Lloyd, A Aspuru-Guzik
New Journal of Physics 11 (3), 033003, 2009
10582009
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
10462016
Self-referencing embedded strings (SELFIES): A 100% robust molecular string representation
M Krenn, F Häse, AK Nigam, P Friederich, A Aspuru-Guzik
Machine Learning: Science and Technology 1 (4), 045024, 2020
9682020
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Članki 1–20