| 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 | 3240 | 2015 |
| 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, 2241-2251, 2011 | 750 | 2011 |
| The ab-initio density matrix renormalization group in practice R Olivares-Amaya, W Hu, N Nakatani, S Sharma, J Yang, GK Chan The Journal of chemical physics 142 (3), 2015 | 401 | 2015 |
| Lead candidates for high-performance organic photovoltaics from high-throughput quantum chemistry–the Harvard Clean Energy Project J Hachmann, R Olivares-Amaya, A Jinich, AL Appleton, ... Energy & Environmental Science 7 (2), 698-704, 2014 | 291 | 2014 |
| Accelerated computational discovery of high-performance materials for organic photovoltaics by means of cheminformatics R Olivares-Amaya, C Amador-Bedolla, J Hachmann, S Atahan-Evrenk, ... Energy Environ. Sci., 2011 | 221 | 2011 |
| Accelerating resolution-of-the-identity second-order Møller-Plesset quantum chemistry calculations with graphical processing units L Vogt, R Olivares-Amaya, S Kermes, Y Shao, C Amador-Bedolla, ... The Journal of Physical Chemistry A 112 (10), 2049-2057, 2008 | 185 | 2008 |
| On the chemical bonding effects in the Raman response: Benzenethiol adsorbed on silver clusters SK Saikin, R Olivares-Amaya, D Rappoport, M Stopa, A Aspuru-Guzik Phys. Chem. Chem. Phys. 11 (41), 9401-9411, 2009 | 128 | 2009 |
| Accelerating correlated quantum chemistry calculations using graphical processing units and a mixed precision matrix multiplication library R Olivares-Amaya, MA Watson, RG Edgar, L Vogt, Y Shao, ... Journal of Chemical Theory and Computation 6 (1), 135-144, 2009 | 103 | 2009 |
| 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 Rhee Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ... N. Engl. J. Med 363, 1693-1703, 2010 | 62* | 2010 |
| Quantum chemical approach to estimating the thermodynamics of metabolic reactions A Jinich, D Rappoport, I Dunn, B Sanchez-Lengeling, R Olivares-Amaya, ... Scientific reports 4 (1), 7022, 2014 | 57 | 2014 |
| Accelerating correlated quantum chemistry calculations using graphical processing units M Watson, R Olivares-Amaya, RG Edgar, A Aspuru-Guzik Computing in Science & Engineering 12 (4), 40-51, 2010 | 55 | 2010 |
| Time-dependent density functional theory of open quantum systems in the linear-response regime DG Tempel, MA Watson, R Olivares-Amaya, A Aspuru-Guzik The Journal of chemical physics 134 (7), 2011 | 35 | 2011 |
| Organic photovoltaics C Amador-Bedolla, R Olivares-Amaya, J Hachmann, A Aspuru-Guzik Informatics for Materials Science and Engineering, 423-442, 2013 | 24 | 2013 |
| Anion Stabilization in Electrostatic Environments R Olivares-Amaya, M Stopa, X Andrade, MA Watson, A Aspuru-Guzik The Journal of Physical Chemistry Letters 2, 682-688, 2011 | 22 | 2011 |
| Advances in molecular quantum chemistry contained in the Q-Chem 4 program package F Liu, E Livshits, RC Lochan, A Luenser, P Manohar, SF Manzer, SP Mao, ... Molecular Physics 113 (2), 184-215, 2015 | 20 | 2015 |
| Can mixed-metal surfaces provide an additional enhancement to SERS? R Olivares-Amaya, D Rappoport, PA Munoz, P Peng, E Mazur, ... The Journal of Physical Chemistry C 116 (29), 15568-15575, 2012 | 20 | 2012 |
| Electronic structure calculations in arbitrary electrostatic environments MA Watson, D Rappoport, EMY Lee, R Olivares-Amaya, A Aspuru-Guzik The Journal of Chemical Physics 136 (2), 2012 | 19 | 2012 |
| Systems and methods for genomic analysis AQ Zarate, R Olivares-amaya, TJ Watson Jr, HC Van Aggelen, ... US Patent 11,929,149, 2024 | 16 | 2024 |
| Creating a GUI for Zori, a quantum Monte Carlo program R Olivares-Amaya, R Salomon-Ferrer, WA Lester, C Amador-Bedolla Computing in Science & Engineering 11 (1), 41-47, 2008 | 11 | 2008 |
| Methods and systems for biological sequence alignment R Godinez-moreno, A Quiroz-zarate, PG Coste, R Olivares-amaya, ... US Patent App. 15/123,281, 2017 | 9 | 2017 |
Alan Aspuru-GuzikProfessor of Chemistry and Computer Science, University of Toronto (starting July 1, 2018)Verified email at utoronto.ca