237 citations · 733 across the 16 of their papers we have counts for
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Formation of Chain-Folded Structures from Supercooled Polymer Melts
Hendrik Meyer, Florian Mueller-Plathe
The formation of chain-folded structures from the melt is observed in molecular dynamics simulations resembling the lamellae of polymer crystals. Crystallization and subsequent mel…
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…
Mapping atomistic to coarse-grained polymer models using automatic simplex optimization to fit structural properties
Dirk Reith, Hendrik Meyer, Florian Mueller-Plathe
We develop coarse-grained force fields for poly (vinyl alcohol) and poly (acrylic acid) oligomers. In both cases, one monomer is mapped onto a coarse-grained bead. The new force fi…