Related papers: Crossover from reptation to Rouse dynamics in a on…
In this paper we establish a new efficient method for simulating polymer-solvent systems which combines a lattice Boltzmann approach for the fluid with a continuum molecular dynamics (MD) model for the polymer chain. The two parts are…
We analyze a macroscopic model with a maximal density constraint which describes short range repulsion in biological systems. This system aims at modeling finite-size particles which cannot overlap and repel each other when they are too…
In this work, we explore the dynamics of active entangled chains using molecular dynamics simulations of a modified Kremer-Grest model. The active chains are diluted in a mesh of very long passive linear chains, to avoid constraint release…
We analyse a one-dimensional model of hard particles, within ensembles of trajectories that are conditioned (or biased) to atypical values of the time-averaged dynamical activity. We analyse two phenomena that are associated with these…
Monte Carlo simulations of proteins are hindered by the system's high density which often makes local moves ineffective. Here we devise and test a set of long range moves that work well even when all sites of a lattice simulation are…
Motivated by the recent experimental observations of the DNA loop extrusion by protein motors, in this paper we investigate the statistical properties of the growing polymer loops within the ideal chain model. The loop conformation is…
A new master equation to mimic the dynamics of a collection of interacting random walkers in an open system is proposed and solved numerically.In this model, the random walkers interact through excluded volume interaction (single-file…
We study the dynamics of a polymer when it is quenched from a $\theta$ solvent into a good or bad solvent by means of a Langevin equation. The variation of the radius of gyration is studied as a function of time. For the first stage of…
To establish a standard for the distinction of reptation from other modes of polymer diffusion, we analytically and numerically study the displacement of the central bead of a chain diffusing through an ordered obstacle array for times $t <…
The Rouse (J. Chem. Phys. 21, 1272 (1953)) and Zimm (J. Chem. Phys. 24}, 269 (1956)) treatments of the dynamics of a polymer chain are shown to contain a fundamental mathematical error, which causes them to lose the zero-relaxation-rate,…
We investigate combinatorial dynamical systems on simplicial complexes considered as {\em finite topological spaces}. Such systems arise in a natural way from sampling dynamics and may be used to reconstruct some features of the dynamics…
An equivalence between an integro-differential operator M and an evolution operator Ln is determined. From this equivalence the fundamental solution of Ln is estimated in terms of the fundamental solution related to the third-order operator…
Single partially confined collapsed polymers are studied in two dimensions. They are described by self-avoiding random walks with nearest-neighbour attractions below the $\Theta$-point, on the surface of an infinitely long cylinder. For the…
Using statistical physics methods, we study generative diffusion models in the regime where the dimension of space and the number of data are large, and the score function has been trained optimally. Our analysis reveals three distinct…
The Hamiltonian dynamics of chains of nonlinearly coupled particles is numerically investigated in two and three dimensions. Simple, off-lattice homopolymer models are used to represent the interparticle potentials. Time averages of…
We use direct numerical simulations to study homogeneous, and isotropic turbulent flows of dilute polymer solutions at high Reynolds and Deborah numbers. We find that for small wavenumbers $k$, the kinetic energy spectrum shows…
Understanding how topological constraints affect the dynamics of polymers in solution is at the basis of any polymer theory and it is particularly needed for melts of rings. These polymers fold as crumpled and space-filling objects and,…
Previous work shows that a net directed motion arises from a system of individual particles undergoing run-and-tumble dynamics in the presence of an array of asymmetric barriers. Here, we show that when the individual particle is replaced…
We propose a theoretical framework for dealing with a transient polymer network undergoing small deformations, based on the rate of breaking and re-forming of network crosslinks and the evolving elastic reference state. In this framework,…
The determination of the coil-globule transition of a polymer is generally based on the reconstruction of scaling laws, implying the need for samples from a rather wide range of different polymer lengths $N$. The spectral point of view…