Publications of D. Reith

Halverson, J. D.; Brandes, T.; Lenz, O.; Arnold, A.; Bevc, S.; Starchenko, V.; Kremer, K.; Stuehn, T.; Reith, D.: ESPResSo++: A modern multiscale simulation package for soft matter systems. Computer Physics Communications 184 (4), pp. 1129 - 1149 (2013)

Harmandaris, V. A.; Reith, D.; van der Vegt, N. F. A.; Kremer, K.: Comparison between coarse-graining models for polymer systems: Two mapping schemes for polystyrene. Macromolecular Chemistry and Physics 208 (19-20), pp. 2109 - 2120 (2007)

Reith, D.; Pütz, M.; Müller-Plathe, F.: Deriving effective mesoscale potentials from atomistic simulations. Journal of Computational Chemistry 24 (13), pp. 1624 - 1636 (2003)

Faller, R.; Reith, D.: Properties of poly(isoprene): Model building in the melt and in solution. Macromolecules 36 (14), pp. 5406 - 5414 (2003)

Bordat, P.; Sacristan, J.; Reith, D.; Girard, S.; Glättli, A.; Müller-Plathe, F.: An improved dimethyl sulfoxide force field for molecular dynamics simulations. Chemical Physics Letters 374 (3-4), pp. 201 - 205 (2003)

Reith, D.; Meyer, H.; Müller-Plathe, F.: CG-OPT: A software package for automatic force field design. Computer Physics Communications 148 (3), pp. 299 - 313 (2002)

Dünweg, B.; Reith, D.; Steinhauser, M.; Kremer, K.: Corrections to scaling in the hydrodynamic properties of dilute polymer solutions. Journal of Chemical Physics 117 (2), pp. 914 - 924 (2002)

Reith, D.; Müller, B.; Müller-Plathe, F.; Wiegand, S.: How does the chain extension of poly (acrylic acid) scale in aqueous solution? A combined study with light scattering and computer simulation. Journal of Chemical Physics 116 (20), pp. 9100 - 9106 (2002)

Bordat, P.; Reith, D.; Müller-Plathe, F.: The Influence of Interaction Details on the Thermal Diffusion in Binary Lennard-Jones Liquids. Journal of Chemical Physics 115, pp. 8978 - 8982 (2001)

Reith, D.; Huber, T.; Müller-Plathe, F.; Torda, A. E.: Free Energy Approximations in Simple Lattice Proteins. Journal of Chemical Physics 114, pp. 4998 - 5005 (2001)

Reith, D.; Meyer, H.; Müller-Plathe, F.: Mapping Atomistic to Coarse-Grained Polymer Models Using Automatic Simplex Optimization to Fit Structural Properties. Macromolecules 34, pp. 2335 - 2345 (2001)

Meyer, H.; Biermann, O.; Faller, R.; Reith, D.; Müller-Plathe, F.: Coarse Graining of Nonbonded Inter-Particle Potentials Using Automatic Simplex Optimization to Fit Structural Properties. Journal of Chemical Physics 113, pp. 6264 - 6275 (2000)

Reith, D.; Müller-Plathe, F.: On the Nature of Thermal Diffusion in Binary Lennard-Jones Liquids. Journal of Chemical Physics 112, pp. 2436 - 2443 (2000)

Müller-Plathe, F.; Reith, D.: Cause and Effect Reversed in Non-Equilibrium Molecular Dynamics: An Easy Route to Transport Coefficients. Computational and Theoretical Polymer Science 9, pp. 203 - 209 (1999)

Biermann, O.; Faller, R.; Meyer, H.; Müller-Plathe, F.; Reith, D.; Schmitz, H.: Automatisiertes Erstellen von Simulationsmodellen für Flüssigkeiten und Polymersysteme. In: Forschung und wissenschaftliches Rechnen, pp. 49 - 63 (Eds. Plesser, T.; Hayd, H.). Gesellschaft für wissenschaftliche Datenverarbeitung mbH, Göttingen (2001)