Alex J. W. Thom

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

Fermion Monte Carlo without fixed nodes: A game of life, death, and annihilation in Slater determinant space

George H. Booth, Alex J. W. Thom, Ali Alavi · The Journal of Chemical Physics · 2009 · 820 citations

Quantum Dynamic, Engineering, Many-body Quantum Physic +19

LOBA: a localized orbital bonding analysis to calculate oxidation states, with application to a model water oxidation catalyst

Alex J. W. Thom, Eric J. Sundstrom, Martin Head‐Gordon · Physical Chemistry Chemical Physics · 2009 · 181 citations

Engineering, Oxidation Resistance, Computational Chemistry +19

Breaking the carbon dimer: The challenges of multiple bond dissociation with full configuration interaction quantum Monte Carlo methods

George H. Booth, Deidre Cleland, Alex J. W. Thom et al. · The Journal of Chemical Physics · 2011 · 158 citations

Engineering, Computational Chemistry, Chemistry +17