Modeling adsorbate-induced property changes of carbon nanotubes. - Lynn Groß; Marc Philipp Bahlke; Torben Steenbock; Christian Klinke; Carmen Herrmann (J. Comput. Chem., 2017)

Domain-informed graph neural networks: A quantum chemistry case study. - Jay Paul Morgan; Adeline Paiement; Christian Klinke (Neural Networks, 2023)