An Ghysels

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

TAMkin: A Versatile Package for Vibrational Analysis and Chemical Kinetics

An Ghysels, Toon Verstraelen, Karen Hemelsoet et al. · Journal of Chemical Information and Modeling · 2010 · 170 citations

Engineering, Chemical Analysis, Computational Chemistry +19

First Principle Kinetic Studies of Zeolite-Catalyzed Methylation Reactions

Véronique Van Speybroeck, Jeroen Van der Mynsbrugge, Matthias Vandichel et al. · Journal of the American Chemical Society · 2010 · 157 citations

Permeability of membranes in the liquid ordered and liquid disordered phases

An Ghysels, Andreas Krämer, Richard M. Venable et al. · Nature Communications · 2019 · 139 citations · Full text

A Comparison of Barostats for the Mechanical Characterization of Metal–Organic Frameworks

Sven M. J. Rogge, Louis Vanduyfhuys, An Ghysels et al. · Journal of Chemical Theory and Computation · 2015 · 110 citations · Full text