SCC-DFTB parameters for simulating hybrid gold-thiolates compounds. - Arnaud Fihey; Christian Hettich; Jérémy Touzeau; François Maurel; Aurélie Perrier; Christof Köhler; Bálint Aradi; Thomas Frauenheim (J. Comput. Chem., 2015)

CCS: A software framework to generate two-body potentials using Curvature Constrained Splines. - Akshay Krishna A. K.; Eddie Wadbro; Christof Köhler; Pavlin Mitev; Peter Broqvist; Jolla Kullgren (Comput. Phys. Commun., 2021)