Alejandro J Garza

activity

20182021

most citedSolvation Entropy Made Simple

1 citations · 1 across the 1 of their papers we have counts for

collaborators

3 papers

quant-ph2021

Optimizing Electronic Structure Simulations on a Trapped-ion Quantum Computer using Problem Decomposition

Yukio Kawashima, Erika Lloyd, Marc P. Coons +12

Quantum computers have the potential to advance material design and drug discovery by performing costly electronic structure calculations. A critical aspect of this application req…

physics.chem-ph2019★ 1 cited

Solvation Entropy Made Simple

Alejandro J. Garza

The entropies of molecules in solution are routinely calculated using gas phase formulae. It is assumed that, because implicit solvation models are fitted to reproduce free energie…

physics.chem-ph2018

Reaction Mechanism of the Selective Reduction of CO $_{2}$ to CO by a Tetraaza [Co $^{II}$ N $_{4}$ H] $^{2 +}$ Complex in the Presence of Protons

Alejandro J. Garza, Srimanta Pakhira, Alexis T. Bell +2

The tetraaza [Co $^{II}$ N $_{4}$ H] $^{2 +}$ complex (\textbf{1}) is remarkable for its ability to selectively reduce CO $_{2}$ to CO with 45\% Faradaic efficiency and a CO to H $_{2}$ rat…

Optimizing Electronic Structure Simulations on a Trapped-ion Quantum Computer using Problem Decomposition

Solvation Entropy Made Simple

Reaction Mechanism of the Selective Reduction of CO2​ to CO by a Tetraaza [CoIIN4​H]2+ Complex in the Presence of Protons

Reaction Mechanism of the Selective Reduction of CO $_{2}$ to CO by a Tetraaza [Co $^{II}$ N $_{4}$ H] $^{2 +}$ Complex in the Presence of Protons