Deriving effective mesoscale potentials from atomistic simulations D Reith, M Pütz, F Müller‐Plathe Journal of computational chemistry 24 (13), 1624-1636, 2003 | 1437 | 2003 |
Mapping atomistic to coarse-grained polymer models using automatic simplex optimization to fit structural properties D Reith, H Meyer, F Müller-Plathe Macromolecules 34 (7), 2335-2345, 2001 | 275 | 2001 |
On the nature of thermal diffusion in binary Lennard-Jones liquids D Reith, F Müller-Plathe The Journal of Chemical Physics 112 (5), 2436-2443, 2000 | 210 | 2000 |
Comparison Between Coarse‐Graining Models for Polymer Systems: Two Mapping Schemes for Polystyrene VA Harmandaris, D Reith, NFA Van der Vegt, K Kremer Macromolecular chemistry and physics 208 (19‐20), 2109-2120, 2007 | 202 | 2007 |
Cause and effect reversed in non-equilibrium molecular dynamics: an easy route to transport coefficients F Müller-Plathe, D Reith Computational and Theoretical Polymer Science 9 (3-4), 203-209, 1999 | 164 | 1999 |
Coarse graining of nonbonded inter-particle potentials using automatic simplex optimization to fit structural properties H Meyer, O Biermann, R Faller, D Reith, F Müller-Plathe The Journal of Chemical Physics 113 (15), 6264-6275, 2000 | 157 | 2000 |
How does the chain extension of poly (acrylic acid) scale in aqueous solution? A combined study with light scattering and computer simulation D Reith, B Müller, F Müller-Plathe, S Wiegand The Journal of chemical physics 116 (20), 9100-9106, 2002 | 133 | 2002 |
ESPResSo++: A modern multiscale simulation package for soft matter systems JD Halverson, T Brandes, O Lenz, A Arnold, S Bevc, V Starchenko, ... Computer Physics Communications 184 (4), 1129-1149, 2013 | 128 | 2013 |
Corrections to scaling in the hydrodynamic properties of dilute polymer solutions B Dünweg, D Reith, M Steinhauser, K Kremer The Journal of Chemical Physics 117 (2), 914-924, 2002 | 99 | 2002 |
Properties of poly (isoprene): Model building in the melt and in solution R Faller, D Reith Macromolecules 36 (14), 5406-5414, 2003 | 81 | 2003 |
On the Nature of Interactions between Ionic Liquids and Small Amino‐Acid‐Based Biomolecules AA Tietze, F Bordusa, R Giernoth, D Imhof, T Lenzer, A Maaß, ... ChemPhysChem 14 (18), 4044-4064, 2013 | 71 | 2013 |
A sales forecast model for the german automobile market based on time series analysis and data mining methods B Brühl, M Hülsmann, D Borscheid, CM Friedrich, D Reith Advances in Data Mining. Applications and Theoretical Aspects: 9th …, 2009 | 67 | 2009 |
Semi-Lagrangian off-lattice Boltzmann method for weakly compressible flows A Krämer, K Küllmer, D Reith, W Joppich, H Foysi Physical Review E 95 (2), 023305, 2017 | 66 | 2017 |
General sales forecast models for automobile markets based on time series analysis and data mining techniques M Hülsmann, D Borscheid, CM Friedrich, D Reith Advances in Data Mining. Applications and Theoretical Aspects: 11th …, 2011 | 66 | 2011 |
The influence of interaction details on the thermal diffusion in binary Lennard-Jones liquids P Bordat, D Reith, F Müller-Plathe The Journal of Chemical Physics 115 (19), 8978-8982, 2001 | 66 | 2001 |
GROW: A gradient-based optimization workflow for the automated development of molecular models M Hülsmann, T Köddermann, J Vrabec, D Reith Computer Physics Communications 181 (3), 499-513, 2010 | 64 | 2010 |
CG-OPT: A software package for automatic force field design D Reith, H Meyer, F Müller-Plathe Computer physics communications 148 (3), 299-313, 2002 | 61 | 2002 |
ACPYPE update for nonuniform 1–4 scale factors: Conversion of the GLYCAM06 force field from AMBER to GROMACS A Bernardi, R Faller, D Reith, KN Kirschner SoftwareX 10, 100241, 2019 | 59 | 2019 |
An improved dimethyl sulfoxide force field for molecular dynamics simulations P Bordat, J Sacristan, D Reith, S Girard, A Glättli, F Müller-Plathe Chemical physics letters 374 (3-4), 201-205, 2003 | 42 | 2003 |
Semi-Lagrangian lattice Boltzmann method for compressible flows D Wilde, A Krämer, D Reith, H Foysi Physical Review E 101 (5), 053306, 2020 | 41 | 2020 |