Jan Wenzel

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

Predictive Multitask Deep Neural Network Models for ADME-Tox Properties: Learning from Large Data Sets

Jan Wenzel, Hans Matter, Friedemann Schmidt · Journal of Chemical Information and Modeling · 2019 · 209 citations

Investigating excited electronic states using the algebraic diagrammatic construction (ADC) approach of the polarisation propagator

Michael Wormit, Dirk R. Rehn, Philipp H. P. Harbach et al. · Molecular Physics · 2013 · 191 citations

Localized Excited State, Engineering, Computational Chemistry +18

Calculating core‐level excitations and x‐ray absorption spectra of medium‐sized closed‐shell molecules with the algebraic‐diagrammatic construction scheme for the polarization propagator

Jan Wenzel, Michael Wormit, Andreas Dreuw · Journal of Computational Chemistry · 2014 · 180 citations