Volker Settels

Analyzing Learned Molecular Representations for Property Prediction

Kevin Yang, Kyle Swanson, Wengong Jin et al. · Journal of Chemical Information and Modeling · 2019 · 1.6K citations · Full text

Geometric Learning, Engineering, Machine Learning +16

Analyzing Learned Molecular Representations for Property Prediction

Kevin Yang, Kyle L. Swanson, Wengong Jin et al. · arXiv (Cornell University) · 2019 · 204 citations · Full text

Geometric Learning, Engineering, Machine Learning +16

Ultrafast Exciton Self-Trapping upon Geometry Deformation in Perylene-Based Molecular Aggregates

Alexander Schubert, Volker Settels, Wenlan Liu et al. · The Journal of Physical Chemistry Letters · 2013 · 138 citations

Engineering, Molecular Self-assembly, Excitation Energy Transfer +21

Analyzing Learned Molecular Representations for Property Prediction

Kevin Yang, Kyle Swanson, Wengong Jin et al. · 2019 · 113 citations · Full text

Geometric Learning, Engineering, Machine Learning +16

Understanding Ground- and Excited-State Properties of Perylene Tetracarboxylic Acid Bisimide Crystals by Means of Quantum Chemical Computations

Hongmei Zhao, Johannes Pfister, Volker Settels et al. · Journal of the American Chemical Society · 2009 · 108 citations

Localized Excited State, Excited-state Properties, Engineering +18