574 citations · 3k across the 38 of their papers we have counts for
25 papers · 1 filter
Plateau moduli of Kremer-Grest models for commodity polymer melts
Carsten Svaneborg, Ralf Everaers
We estimate the plateau moduli of highly entangled end-pinned bead-spring polymer melts with Z = 100 and Z = 200 from the time-dependent elastic response to a step strain, which we…
Amoeba Monte Carlo algorithms for random trees with controlled branching activity: efficient trial move generation and universal dynamics
Pieter H. W. van der Hoek, Angelo Rosa, Ralf Everaers
The reptation Monte Carlo algorithm is a simple, physically motivated and efficient method for equilibrating semi-dilute solutions of linear polymers. Here we propose two simple ge…
Multiscale equilibration of highly entangled isotropic model polymer melts
Carsten Svaneborg, Ralf Everaers
We present a computationally efficient multiscale method for preparing equilibrated, isotropic long chain model polymer melts. As an application we generate Kremer-Grest melts of $…
Single-molecule stretching experiments of flexible (wormlike) chain molecules in different ensembles: Theory and a potential application of finite chain length effects to nick-counting in DNA
Ralf Everaers, Nils B. Becker, Angelo Rosa
We propose a formalism for deriving force-elongation and elongation-force relations for flexible chain molecules from analytical expressions for their radial distribution function,…
Local loop opening in untangled ring polymer melts: A detailed "Feynman test" of models for the large scale structure
Raoul D. Schram, Angelo Rosa, Ralf Everaers
The conformational statistics of ring polymers in melts or dense solutions is strongly affected by their quenched microscopic topological state. The effect is particularly strong f…
Conformational statistics of randomly-branching double-folded ring polymers
Angelo Rosa, Ralf Everaers
The conformations of topologically constrained double-folded ring polymers can be described as wrappings of randomly branched primitive trees. We extend previous work on the tree s…