GROW: A gradient-based optimization workflow for the automated development of molecular models. - Marco Hülsmann; Thorsten Köddermann; Jadran Vrabec; Dirk Reith (Comput. Phys. Commun., 2010)

Engineering Chemical Substances via Molecular Simulations Utilizing Efficient Gradient-Based Optimization Algorithms. - Marco Hülsmann; Thorsten Köddermann; Dirk Reith (ERCIM News, 2010)

Automated parameterization of intermolecular pair potentials using global optimization techniques. - Andreas Krämer; Marco Hülsmann; Thorsten Köddermann; Dirk Reith (Comput. Phys. Commun., 2014)

Molecular Dynamics Simulation of Membrane Free Energy Profiles Using Accurate Force Field for Ionic Liquids. - Thorsten Köddermann; Martin R. Schenk; Marco Hülsmann; Andreas Krämer; Karl N. Kirschner; Dirk Reith (Scientific Computing and Algorithms in Industrial Simulations, 2017)