Integrated Process and Molecular Design with Modelica Using Continuous-Molecular Targeting. - Christoph Udo Gertig; Dominik Tillmanns; Johannes Schilling; Uwe Bau; Franz Lanzerath; Joachim Gross; André Bardow (Modelica, 2017)

CAT-COSMO-CAMPD: Integrated in silico design of catalysts and processes based on quantum chemistry. - Christoph Udo Gertig; Lorenz Fleitmann; Carl Hemprich; Janik Hense; André Bardow; Kai Leonhard (Comput. Chem. Eng., 2021)

Geometrical benchmarking and analysis of redox potentials of copper(I/II) guanidine-quinoline complexes: Comparison of semi-empirical tight-binding and DFT methods and the challenge of describing the entatic state (part III). - Lukas Raßpe-Lange; Alexander Hoffmann; Christoph Udo Gertig; Joshua Heck; Kai Leonhard; Sonja Herres-Pawlis (J. Comput. Chem., 2023)