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Alejandro J. Garza
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Year
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
7002018
Predicting band gaps with hybrid density functionals
AJ Garza, GE Scuseria
The journal of physical chemistry letters 7 (20), 4165-4170, 2016
4172016
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
1822018
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
1552018
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
762013
Comparison of self-consistent field convergence acceleration techniques
AJ Garza, GE Scuseria
The Journal of chemical physics 137 (5), 2012
682012
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
642015
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
622014
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
502015
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
502014
Solvation entropy made simple
AJ Garza
Journal of Chemical Theory and Computation 15 (5), 3204-3214, 2019
472019
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
422020
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
402015
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
392017
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
372013
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
322019
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
322013
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
312014
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
302015
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Articles 1–20