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In the first part of this work a summary is provided of some recent experiments and theoretical results which are relevant in the research of systems of polymer rings in nontrivial topological conformations. Next, some advances in modeling the behavior of single polymer knots are presented. The numerical simulations are performed with the help of the Wang-Landau Monte Carlo algorithm. To sample the polymer conformation a set of random transformations called pivot moves is used. The crucial problem of preserving the topology of the knots after each move is tackled with the help of two new techniques which are briefly explained. As an application, the results of an investigation of the effects of topology on the thermal properties of polymer knots is reported. In the end, original results are discussed concerning the use of parallelized codes to study polymers knots composed by a large number of segments within the Wang-Landau approach.
Molecular dynamics simulations confirm recent extensional flow experiments showing ring polymer melts exhibit strong extension-rate thickening of the viscosity at Weissenberg numbers $Wi<<1$. Thickening coincides with the extreme elongation of a mino
Hydrodynamic interactions as modeled by Multi-Particle Collision Dynamics can dramatically influence the dynamics of fully flexible, ring-shaped polymers in ways not known for any other polymer architecture or topology. We show that steady shear lead
Simulations in which a globular ring polymer with delocalized knots is separated in two interacting loops by a slipping link, or in two non-interacting globuli by a wall with a hole, show how the minimal crossing number of the knots controls the equi
We perform large scale three-dimensional molecular dynamics simulations of unlinked and unknotted ring polymers diffusing through a background gel, here a three-dimensional cubic lattice. Taking advantage of this architecture, we propose a new method
Stochastic simulations are used to characterize the knotting distributions of random ring polymers confined in spheres of various radii. The approach is based on the use of multiple Markov chains and reweighting techniques, combined with effective st