| Mechanism of CO2 Reduction at Copper Surfaces: Pathways to C2 Products AJ Garza, AT Bell, M Head-Gordon Acs Catalysis 8 (2), 1490-1499, 2018 | 697 | 2018 |
| Predicting band gaps with hybrid density functionals AJ Garza, GE Scuseria The journal of physical chemistry letters 7 (20), 4165-4170, 2016 | 414 | 2016 |
| Challenges in modeling electrochemical reaction energetics with polarizable continuum models JA Gauthier, S Ringe, CF Dickens, AJ Garza, AT Bell, M Head-Gordon, ... ACS Catalysis 9 (2), 920-931, 2018 | 180 | 2018 |
| Is Subsurface Oxygen Necessary for the Electrochemical Reduction of CO2 on Copper? AJ Garza, AT Bell, M Head-Gordon The journal of physical chemistry letters 9 (3), 601-606, 2018 | 155 | 2018 |
| Assessment of long-range corrected functionals for the prediction of non-linear optical properties of organic materials AJ Garza, GE Scuseria, SB Khan, AM Asiri Chemical Physics Letters 575, 122-125, 2013 | 75 | 2013 |
| Comparison of self-consistent field convergence acceleration techniques AJ Garza, GE Scuseria The Journal of chemical physics 137 (5), 2012 | 68 | 2012 |
| Can gap tuning schemes of long-range corrected hybrid functionals improve the description of hyperpolarizabilities? AJ Garza, OI Osman, AM Asiri, GE Scuseria The Journal of Physical Chemistry B 119 (3), 1202-1212, 2015 | 64 | 2015 |
| Can short-and middle-range hybrids describe the hyperpolarizabilities of long-range charge-transfer compounds? AJ Garza, NA Wazzan, AM Asiri, GE Scuseria The Journal of Physical Chemistry A 118 (50), 11787-11796, 2014 | 62 | 2014 |
| Range separated hybrids of pair coupled cluster doubles and density functionals AJ Garza, IW Bulik, TM Henderson, GE Scuseria Physical Chemistry Chemical Physics 17 (34), 22412-22422, 2015 | 50 | 2015 |
| A computational study of the nonlinear optical properties of carbazole derivatives: theory refines experiment AJ Garza, OI Osman, NA Wazzan, SB Khan, AM Asiri, GE Scuseria Theoretical Chemistry Accounts 133, 1-8, 2014 | 50 | 2014 |
| Solvation entropy made simple AJ Garza Journal of Chemical Theory and Computation 15 (5), 3204-3214, 2019 | 47 | 2019 |
| Optimizing electronic structure simulations on a trapped-ion quantum computer using problem decomposition Y Kawashima, E Lloyd, MP Coons, Y Nam, S Matsuura, AJ Garza, S Johri, ... Communications Physics 4 (1), 245, 2021 | 45* | 2021 |
| Heterogenized Pyridine-Substituted Cobalt(II) Phthalocyanine Yields Reduction of CO2 by Tuning the Electron Affinity of the Co Center A De Riccardis, M Lee, RV Kazantsev, AJ Garza, G Zeng, DM Larson, ... ACS applied materials & interfaces 12 (5), 5251-5258, 2020 | 42 | 2020 |
| Synergy between pair coupled cluster doubles and pair density functional theory AJ Garza, IW Bulik, TM Henderson, GE Scuseria The Journal of Chemical Physics 142 (4), 2015 | 40 | 2015 |
| Electronic structure and properties of berkelium iodates MA Silver, SK Cary, AJ Garza, RE Baumbach, AA Arico, GA Galmin, ... Journal of the American Chemical Society 139 (38), 13361-13375, 2017 | 39 | 2017 |
| Capturing static and dynamic correlations by a combination of projected Hartree-Fock and density functional theories AJ Garza, CA Jiménez-Hoyos, GE Scuseria The Journal of Chemical Physics 138 (13), 2013 | 37 | 2013 |
| Explaining the incorporation of oxygen derived from solvent water into the oxygenated products of CO reduction over Cu EL Clark, J Wong, AJ Garza, Z Lin, M Head-Gordon, AT Bell Journal of the American Chemical Society 141 (10), 4191-4193, 2019 | 32 | 2019 |
| Photochromic and nonlinear optical properties of fulgides: A density functional theory study AJ Garza, OI Osman, NA Wazzan, SB Khan, GE Scuseria, AM Asiri Computational and Theoretical Chemistry 1022, 82-85, 2013 | 32 | 2013 |
| Electronic correlation without double counting via a combination of spin projected Hartree-Fock and density functional theories AJ Garza, CA Jiménez-Hoyos, GE Scuseria The Journal of Chemical Physics 140 (24), 2014 | 31 | 2014 |
| Actinide chemistry using singlet-paired coupled cluster and its combinations with density functionals AJ Garza, AG Sousa Alencar, GE Scuseria The Journal of Chemical Physics 143 (24), 2015 | 30 | 2015 |
Gustavo E. ScuseriaWelch Professor of Chemistry, Physics & Astronomy, and Materials Science & NanoEngineeringVerified email at rice.edu
