Alan Aspuru-Guzik
Alan Aspuru-Guzik
Professor of Chemistry and Computer Science, University of Toronto (starting July 1, 2018)
Verified email at utoronto.ca - Homepage
TitleCited byYear
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
11652015
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
10122008
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, 2011
7432011
Environment-assisted quantum transport
P Rebentrost, M Mohseni, I Kassal, S Lloyd, A Aspuru-Guzik
New Journal of Physics 11 (3), 033003, 2009
7412009
Convolutional networks on graphs for learning molecular fingerprints
DK Duvenaud, D Maclaurin, J Iparraguirre, R Bombarell, T Hirzel, ...
Advances in neural information processing systems, 2224-2232, 2015
7252015
Convolutional networks on graphs for learning molecular fingerprints
DK Duvenaud, D Maclaurin, J Iparraguirre, R Bombarell, T Hirzel, ...
Advances in neural information processing systems, 2224-2232, 2015
7252015
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, 2014
7152014
Photonic quantum simulators
A Aspuru-Guzik, P Walther
Nature physics 8 (4), 285, 2012
5662012
Simulated quantum computation of molecular energies
A Aspuru-Guzik, AD Dutoi, PJ Love, M Head-Gordon
Science 309 (5741), 1704-1707, 2005
5372005
Towards quantum chemistry on a quantum computer
BP Lanyon, JD Whitfield, GG Gillett, ME Goggin, MP Almeida, I Kassal, ...
Nature chemistry 2 (2), 106, 2010
4762010
A variational eigenvalue solver on a photonic quantum processor
A Peruzzo, J McClean, P Shadbolt, MH Yung, XQ Zhou, PJ Love, ...
Nature communications 5, 4213, 2014
4032014
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
3952018
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, 882, 2012
3782012
Discrete single-photon quantum walks with tunable decoherence
MA Broome, A Fedrizzi, BP Lanyon, I Kassal, A Aspuru-Guzik, AG White
Physical review letters 104 (15), 153602, 2010
3652010
Role of quantum coherence and environmental fluctuations in chromophoric energy transport
P Rebentrost, M Mohseni, A Aspuru-Guzik
The Journal of Physical Chemistry B 113 (29), 9942-9947, 2009
3412009
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
3282011
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
3252014
Scalable quantum simulation of molecular energies
PJJ O’Malley, R Babbush, ID Kivlichan, J Romero, JR McClean, ...
Physical Review X 6 (3), 031007, 2016
2772016
From computational discovery to experimental characterization of a high hole mobility organic crystal
AN Sokolov, S Atahan-Evrenk, R Mondal, HB Akkerman, ...
Nature communications 2, 437, 2011
2602011
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
2442016
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