Ethan Alguire

Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

Yihan Shao, Zhengting Gan, Evgeny Epifanovsky et al. · Molecular Physics · 2014 · 3.1K citations

Program Package, Engineering, Theoretical Inorganic Chemistry +22

Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package

Evgeny Epifanovsky, Andrew T. B. Gilbert, Xintian Feng et al. · The Journal of Chemical Physics · 2021 · 1.3K citations · Full text

An Efficient, Augmented Surface Hopping Algorithm That Includes Decoherence for Use in Large-Scale Simulations

Amber Jain, Ethan Alguire, Joseph E. Subotnik · Journal of Chemical Theory and Computation · 2016 · 152 citations

Numerical Analysis, Engineering, Many-body Quantum Physic +26

Analytic derivative couplings between configuration-interaction-singles states with built-in electron-translation factors for translational invariance

Shervin Fatehi, Ethan Alguire, Yihan Shao et al. · The Journal of Chemical Physics · 2011 · 109 citations

Localized Excited State, Engineering, Computational Chemistry +20

The Requisite Electronic Structure Theory To Describe Photoexcited Nonadiabatic Dynamics: Nonadiabatic Derivative Couplings and Diabatic Electronic Couplings

Joseph E. Subotnik, Ethan Alguire, Qi Ou et al. · Accounts of Chemical Research · 2015 · 92 citations · Full text

Localized Excited State, Engineering, Different Electronic States +18