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Dirk Reith
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Deriving effective mesoscale potentials from atomistic simulations
D Reith, M Pütz, F Müller‐Plathe
Journal of computational chemistry 24 (13), 1624-1636, 2003
13252003
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
2572001
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
2002000
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
1902007
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
1601999
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
1522000
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
1302002
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
1212013
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
922002
Properties of poly (isoprene): model building in the melt and in solution
R Faller, D Reith
Macromolecules 36 (14), 5406-5414, 2003
772003
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
682001
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
652013
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
602010
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
592009
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
592002
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
572017
General sales forecast models for automobile markets and their analysis.
M Hülsmann, D Borscheid, CM Friedrich, D Reith
Trans. Mach. Learn. Data Min. 5 (2), 65-86, 2012
482012
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
392019
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
392003
Comparison of Force Fields on the Basis of Various Model Approaches—How To Design the Best Model for the [CnMIM][NTf2] Family of Ionic Liquids
T Köddermann, D Reith, R Ludwig
ChemPhysChem 14 (14), 3368-3374, 2013
372013
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