| Microscopic origin of the long-lived quantum coherences in the Fenna-Matthew-Olson complex S Shim, A Aspuru-Guzik, S Valleau, P Rebentrost Issue 3 (arXiv: 1104.2943), 649-660, 2011 | 274* | 2011 |
| Photonics meets excitonics: natural and artificial molecular aggregates SK Saikin, A Eisfeld, S Valleau, A Aspuru-Guzik Nanophotonics 2 (1), 21-38, 2013 | 268 | 2013 |
| Atomistic study of the long-lived quantum coherences in the Fenna-Matthews-Olson complex S Shim, P Rebentrost, S Valleau, A Aspuru-Guzik Biophysical journal 102 (3), 649-660, 2012 | 266 | 2012 |
| On the alternatives for bath correlators and spectral densities from mixed quantum-classical simulations S Valleau, A Eisfeld, A Aspuru-Guzik The Journal of Chemical Physics 137 (22), 2012 | 185 | 2012 |
| Machine Learning Exciton Dynamics F Häse, S Valleau, E Pyzer-Knapp, A Aspuru-Guzik Chemical Science, 2016 | 152 | 2016 |
| Influence of Force Fields and Quantum Chemistry Approach on Spectral Densities of BChl a in Solution and in FMO Proteins S Chandrasekaran, M Aghtar, S Valleau, A Aspuru-Guzik, ... The Journal of Physical Chemistry B 119 (31), 9995-10004, 2015 | 112 | 2015 |
| Atomistic study of energy funneling in the light-harvesting complex of green sulfur bacteria J Huh, SK Saikin, JC Brookes, S Valleau, T Fujita, A Aspuru-Guzik Journal of the American Chemical Society 136 (5), 2048-2057, 2014 | 104 | 2014 |
| Exciton transport in thin-film cyanine dye J-aggregates S Valleau, SK Saikin, MH Yung, A Aspuru Guzik Journal of Chemical Physics 137, 034109, 2012 | 99 | 2012 |
| First principles semiclassical calculations of vibrational eigenfunctions M Ceotto, S Valleau, GF Tantardini, A Aspuru-Guzik Journal of Chemical Physics 134 (23), 234103, 2011 | 50 | 2011 |
| Progress towards machine learning reaction rate constants E Komp, N Janulaitis, S Valleau Physical Chemistry Chemical Physics 24 (5), 2692-2705, 2022 | 44 | 2022 |
| Machine learning quantum reaction rate constants E Komp, S Valleau J. Phys. Chem. A, 2020 | 39 | 2020 |
| Electromagnetic Study of the Chlorosome Antenna Complex of Chlorobium tepidum S Valleau, SK Saikin, D Ansari-Oghol-Beig, M Rostami, H Mossallaei, ... ACS nano 8 (4), 3884-3894, 2014 | 20 | 2014 |
| Absence of Selection for Quantum Coherence in the Fenna–Matthews–Olson Complex: A Combined Evolutionary and Excitonic Study S Valleau, RA Studer, F Häse, C Kreisbeck, RG Saer, RE Blankenship, ... ACS central science 3 (10), 1086-1095, 2017 | 19 | 2017 |
| Deep nuclear resonant tunneling thermal rate constant calculations S Mandrà, S Valleau, M Ceotto International Journal of Quantum Chemistry 113 (12), 1722-1734, 2013 | 16 | 2013 |
| Parametric hierarchical matrix approach for the wideband optical response of large-scale molecular aggregates D Ansari-Oghol-Beig, M Rostami, E Chernobrovkina, SK Saikin, S Valleau, ... Journal of Applied Physics 114 (16), 164315, 2013 | 13 | 2013 |
| Low-cost prediction of molecular and transition state partition functions via machine learning E Komp, S Valleau Chemical Science 13, 7900-7906, 2022 | 7 | 2022 |
| Reaction Dynamics of Cyanohydrins with Hydrosulfide in Water S Valleau, TJ Martinez J. Phys. Chem. A 123, 7210-7217, 2019 | 5 | 2019 |
| Machine Learning Quantum Reaction Rate Constants (1.0.0) [Data set] E Komp, S Valleau Zenodo, 2021 | 3* | 2021 |
| Machine learning exciton dynamics S Valleau, F Häse, E Pyzer-Knapp, A Aspuru-Guzik Chemical Science 7 (04), 2016 | 2 | 2016 |
| C-HACK: A Data Science Tutorial and Hackathon for Undergraduate Students in Chemical Engineering E Komp, B Pelkie, N Janulaitis, M Abel, I Castillo, L Chiang, Y Peng, ... Chemical Engineering Education 57 (1), 17-26, 2022 | 1 | 2022 |
Alan Aspuru-GuzikProfessor of Chemistry and Computer Science, University of Toronto (starting July 1, 2018)ایمیل تأیید شده در utoronto.ca
