| 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 | 3227 | 2015 |
| Bypassing the Kohn-Sham equations with machine learning F Brockherde, L Vogt, L Li, ME Tuckerman, K Burke, KR Müller Nature communications 8 (1), 872, 2017 | 784 | 2017 |
| 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 | 747 | 2011 |
| Report on the sixth blind test of organic crystal structure prediction methods AM Reilly, RI Cooper, CS Adjiman, S Bhattacharya, AD Boese, ... Acta Crystallographica Section B: Structural Science, Crystal Engineering …, 2016 | 636 | 2016 |
| 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 & Environmental Science 4 (12), 4849-4861, 2011 | 220 | 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 | 184 | 2008 |
| Oxygen-evolving complex of Photosystem II: an analysis of second-shell residues and hydrogen-bonding networks L Vogt, DJ Vinyard, S Khan, GW Brudvig Current Opinion in Chemical Biology 25, 152-158, 2015 | 134 | 2015 |
| Powder diffraction and crystal structure prediction identify four new coumarin polymorphs AG Shtukenberg, Q Zhu, DJ Carter, L Vogt, J Hoja, E Schneider, H Song, ... Chemical science 8 (7), 4926-4940, 2017 | 128 | 2017 |
| S0-State Model of the Oxygen-Evolving Complex of Photosystem II R Pal, CFA Negre, L Vogt, R Pokhrel, MZ Ertem, GW Brudvig, VS Batista Biochemistry 52 (44), 7703-7706, 2013 | 122 | 2013 |
| 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, 2010 | 103 | 2010 |
| Automated compound classification for ambient aerosol sample separations using comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry L Vogt, T Gröger, R Zimmermann Journal of Chromatography A 1150 (1-2), 2-12, 2007 | 75 | 2007 |
| Isostructural Cocrystals of 1, 3, 5-Trinitrobenzene Assembled by Halogen Bonding JC Bennion, L Vogt, ME Tuckerman, AJ Matzger Crystal Growth & Design 16 (8), 4688-4693, 2016 | 62 | 2016 |
| Proton-coupled electron transfer during the S-state transitions of the oxygen-evolving complex of photosystem II M Amin, L Vogt, W Szejgis, S Vassiliev, GW Brudvig, D Bruce, MR Gunner The Journal of Physical Chemistry B 119 (24), 7366-7377, 2015 | 59 | 2015 |
| Exploring polymorphism of benzene and naphthalene with free energy based enhanced molecular dynamics E Schneider, L Vogt, ME Tuckerman Acta Crystallographica Section B: Structural Science, Crystal Engineering …, 2016 | 52 | 2016 |
| Using Computer Modeling to Predict and Optimize Separations for Comprehensive 2-Dimensional Gas Chromatography FL Dorman, PD Schettler, LA Vogt, JW Cochran | 50 | 2008 |
| Electrostatic Effects on Proton Coupled Electron Transfer in Oxomanganese Complexes Inspired by the Oxygen-Evolving Complex of Photosystem II M Amin, L Vogt, S Vassiliev, I Rivalta, MM Sultan, D Bruce, GW Brudvig, ... The Journal of Physical Chemistry B 117 (20), 6217-6226, 2013 | 47 | 2013 |
| Single Molecule Rectification Induced by the Asymmetry of a Single Frontier Orbital W Ding, CFA Negre, L Vogt, VS Batista Journal of Chemical Theory and Computation 10 (8), 3393-3400, 2014 | 45 | 2014 |
| Examination of pigments on Thai manuscripts: the first identification of copper citrate K Eremin, J Stenger, JF Huang, A Aspuru‐Guzik, T Betley, L Vogt, I Kassal, ... Journal of Raman Spectroscopy 39 (8), 1057-1065, 2008 | 45 | 2008 |
| Engineering directed excitonic energy transfer A Perdomo, L Vogt, A Najmaie, A Aspuru-Guzik Applied Physics Letters 96 (9), 093114, 2010 | 44 | 2010 |
| Computational Insights on Crystal Structures of the Oxygen-Evolving Complex of Photosystem II with Either Ca2+ or Ca2+ Substituted by Sr2+ L Vogt, MZ Ertem, R Pal, GW Brudvig, VS Batista Biochemistry 54 (3), 820-825, 2015 | 33 | 2015 |
Alan Aspuru-GuzikProfessor of Chemistry and Computer Science, University of Toronto (starting July 1, 2018)Verified email at utoronto.ca
