Joseph E. Subotnik

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

Understanding the Surface Hopping View of Electronic Transitions and Decoherence

Joseph E. Subotnik, Amber Jain, Brian R. Landry et al. · Annual Review of Physical Chemistry · 2016 · 435 citations · Full text

Fewest Switches, Localized Excited State, Engineering +18

A new approach to decoherence and momentum rescaling in the surface hopping algorithm

Joseph E. Subotnik, Neil Shenvi · The Journal of Chemical Physics · 2011 · 283 citations

Numerical Analysis, Quantum Dynamic, Engineering +25

Constructing diabatic states from adiabatic states: Extending generalized Mulliken–Hush to multiple charge centers with Boys localization

Joseph E. Subotnik, Sina Yeganeh, Robert J. Cave et al. · The Journal of Chemical Physics · 2008 · 261 citations

Charge Excitations, Engineering, Boys Localization +19