128 citations · 136 across the 3 of their papers we have counts for
3 papers
Hydration of polyelectrolytes studied by molecular dynamics simulation
Oliver Biermann, Erich Haedicke, Sebastian Koltzenburg +2
Molecular dynamics simulations of diluted (~2.5 weight percent) aqueous solutions of two polyelectrolytes, namely sodium carboxy methyl cellulose (CMC) and sodium poly(acrylate) (P…
Coarse Graining of Nonbonded Inter-particle Potentials Using Automatic Simplex Optimization to Fit Structural Properties
Hendrik Meyer, Oliver Biermann, Roland Faller +2
We implemented a coarse-graining procedure to construct mesoscopic models of complex molecules. The final aim is to obtain better results on properties depending on slow modes of t…
Automatic Parameterization of Force Fields for Liquids by Simplex Optimization
Roland Faller, Heiko Schmitz, Oliver Biermann +1
We demonstrate an automatic method of force field development for molecular simulations. Parameter tuning is taken as an optimization problem in many dimensions. The parameters are…