Hülsmann, Marco; Vrabec, Jardan; Maaß, Astrid; Reith, Dirk: Assessment of numerical optimization algorithms for the development of molecular models. In: Computer physics communications 181 (2010), 5, S. 887-905

Kirschner, Karl N.; Heikamp, Katrin; Reith, Dirk: Atomistic simulations of isotactic poly(methyl methacrylate) melts: Exploring the backbone conformation. In: Molecular simulation 36 (2010), 15, S. 1253-1264

Hülsmann, Marco; Müller, Thomas J.; Köddermann, Thorsten; Reith, Dirk: Automated force field optimisation of small molecules using a gradient-based workflow package. In: Molecular simulation 36 (2010), 14, S. 1182-1196

Maaß, Astrid; Tekin, Emine D.; Schüller, Anton; Palazoglu, Ahmet; Reith, Dirk; Faller, Roland: Comparing the folding and unfolding characteristics of short peptides using principal component analysis. In: BBA : Proteins and proteomics 1804 (2010), 10, S. 2003-2010

Hülsmann, Marco; Köddermann, Thorsten; Reith, Dirk: Engineering chemical substances via molecular simulations utilizing efficient gradient-based optimization algorithms. In: ERCIM News (2010), 81 : Special theme, S. 25-26

Hülsmann, Marco; Köddermann, Thorsten; Vrabec, J.; Reith, Dirk: GROW: a gradient-based optimization workflow for the automated development of molecular models. In: Computer physics communications 181 (2010), 3, S. 499-513

Maaß, Astrid; Nikitina, Lailia; Kirschner, Karl N.; Reith, Dirk: Multi-objective force field optimization on basis of random models for ethylene oxide. In: Molecular simulation 36 (2010), 15, S. 1208-1218

Hülsmann, Marco; Friedrich, Christoph M.; Reith, Dirk: A new approach to explicable sales forecast models for the German automobile market. In: ERCIM News (2009), 78, S. 30-31

Brühl, Bernhard; Hülsmann, Marco; Borscheid, Detlef; Friedrich, Christoph M.; Reith, Dirk: A Sales Forecast Model for the German Automobile Market Based on Time Series Analysis and Data Mining Methods. In: Perner, Petra (Hrsg.): Advances in data mining : applications and theoretical aspects. Berlin [u.a.] : Springer, 2009, S. 146-160 (Lecture notes in computer science 5633 : Lecture notes in artificial intelligence).

Müller, Thomas J.; Roy, Sudip; Wei, Zhao; Maaß, Astrid; Reith, Dirk: Economic simplex optimisation for broad range property prediction: strengths and weaknesses of an automated approach for tailoring of parameters. In: Fluid phase equilibria 274 (2008), S. 27-35

Harmandaris, Vagelis A.; Reith, Dirk; Vegt, Nico F. A. van der; Kremer, Kurt: Comparison between coarse-graining models for polymer systems : two mapping schemes for polystyrene. In: Macromolecular chemistry and physics 208 (2007), 19-20, S. 2109-2120