Related papers: Monte Carlo Results for Projected Self-Avoiding Po…
For more than a century lattice random walks have been employed ubiquitously, both as a theoretical laboratory to develop intuition about more complex stochastic processes and as a tool to interpret a vast array of empirical observations.…
Various subsets of self-avoiding walks naturally appear when investigating existing methods designed to predict the 3D conformation of a protein of interest. Two such subsets, namely the folded and the unfoldable self-avoiding walks, are…
Self-avoiding walks are a simple and well-known model of long, flexible polymers in a good solvent. Polymers being pulled away from a surface by an external agent can be modelled with self-avoiding walks in a half-space, with a Boltzmann…
Through extensive Monte Carlo simulations, we systematically study the effect of chain stiffness on the packing ability of linear polymers composed of hard spheres in extremely confined monolayers, corresponding effectively to 2D films.…
The interplay of topological constraints and Coulomb interactions in static and dynamic properties of charged polymers is investigated by numerical simulations and scaling arguments. In the absence of screening, the long-range interaction…
Diffusion properties of a self-avoiding polymer embedded in regularly distributed obstacles with spacing a=20 and confined in two dimensions is studied numerically using the extended bond fluctuation method which we have developed recently.…
We propose a novel combinatorial algorithm for efficient generation of Hamiltonian walks and cycles on a cubic lattice, modeling the conformations of lattice toy proteins. Through extensive tests on small lattices (allowing complete…
The probability of a random polygon (or a ring polymer) having a knot type $K$ should depend on the complexity of the knot $K$. Through computer simulation using knot invariants, we show that the knotting probability decreases exponentially…
We investigate the effects of topological constraints (entanglements) on two dimensional polymer loops in the dense phase, and at the collapse transition (Theta point). Previous studies have shown that in the dilute phase the entangled…
We consider a self-avoiding walk model of polymer adsorption where the adsorbed polymer can be desorbed by the application of a force, concentrating on the case of the square lattice. Using series analysis methods we investigate the…
We describe a new algorithm, the reflection method, to generate off-lattice random walks of specified, though arbitrarily large, thickness in $\mathbb{R}^3$ and prove that our method is ergodic on the space of thick walks. The data…
We obtain the solution of models of self-avoiding walks with attractive interactions on Husimi lattices built with squares. Two attractive interactions are considered: between monomers on first-neighbor sites and not consecutive along a…
We numerically investigate the influence of self-attraction on the critical behaviour of a polymer in two dimensions, by means of an analysis of finite-size results of transfer-matrix calculations. The transfer matrix is constructed on the…
We reduce the problem of counting self-avoiding walks in the square lattice to a problem of counting the number of integral points in multidimensional domains. We obtain an asymptotic estimate of the number of self-avoiding walks of length…
We consider two different problems involving the localization of a single polymer chain: (i) a periodic $AB$ copolymer at a selective fluid-fluid interface, with the upper (resp. lower) fluid attracting $A$ (resp. $B$) monomers (ii) a…
In order to study long chain polymers many lattice models accommodate a pulling force applied to a particular part of the chain, often a free endpoint. This is in addition to well-studied features such as energetic interaction between the…
The exact grand-canonical solution of a generalized interacting self-avoid walk (ISAW) model, placed on a Husimi lattice built with squares, is presented. In this model, beyond the traditional interaction $\omega_1=e^{\epsilon_1/k_B T}$…
We present a new Monte Carlo scheme for the efficient simulation of multi-polymer systems. The method permits chains to be inserted into the system using a biased growth technique. The growth proceeds via the use of a retractable feeler,…
We use the lattice model of directed walks to investigate the conformational as well as the adsorption properties of a semiflexible homopolymer chain immersed in a good solvent in two and three dimensions. To account for the stiffness in…
Entangled networks of stiff biopolymers exhibit complex dynamic response, emerging from the topological constraints that neighboring filaments impose upon each other. We propose a class of reference models for entanglement dynamics of stiff…