87 citations · 150 across the 8 of their papers we have counts for
4 papers · 1 filter
One size fits all: equilibrating chemically different polymer liquids through universal long-wavelength description
Guojie Zhang, Torsten Stuehn, Kostas Ch. Daoulas +1
Mesoscale behavior of polymers is frequently described by universal laws. This physical property motivates us to propose a new modeling concept, grouping polymers into classes with…
Equilibration of High Molecular-Weight Polymer Melts: A Hierarchical Strategy
Guojie Zhang, Livia A. Moreira, Torsten Stuehn +2
A strategy is developed for generating equilibrated high molecular-weight polymer melts described with microscopic detail by sequentially backmapping coarse-grained (CG) configurat…
The Cassie-Wenzel transition of fluids on nanostructured substrates: Macroscopic force balance versus microscopic density-functional theory
Nikita Tretyakov, Periklis Papadopoulos, Doris Vollmer +3
Classical density functional theory is applied to investigate the validity of a phenomenological force-balance description of the stability of the Cassie state of liquids on substr…
Monte Carlo simulation study of diblock copolymer self assembly
George J. Papakonstantopoulos, Kostas Ch. Daoulas, Marcus Muller +1
A technique is presented which maps the parameters of a bead spring model, using the Flory Huggins theory, to a specific experimental system. By keeping only necessary details, for…