Related papers: Entropic competition between knots and slip-links
The effective interaction between a sphere with an open cavity (lock) and a spherical macroparticle (key), both immersed in a hard sphere fluid, is studied by means of Monte Carlo simulations. As a result, a 2d map of the key-lock effective…
We propose a new quantum Monte Carlo algorithm which realizes a relaxation intrinsic to the original quantum system. The Monte Carlo dynamics satisfies the dynamic scaling relation $\tau\sim \xi^z$ and is independent of the Trotter number.…
We numerically study Turing patterns (TPs) on two-dimensional surfaces with a square boundary in ${\bf R}^3$ using a surface model for polymerized membranes. The variables used to describe the membranes correspond to two distinct degrees of…
In lattice models local pressure on a surface is derived from the change in the free energy of the system due to the exclusion of a certain boundary site, while the total force on the surface can be obtained by a similar exclusion of all…
We introduce a novel entropy-related function, \textit{non-repeatability}, designed to capture dynamical behaviors in complex systems. Its normalized form, \textit{mutability}, has been previously applied in statistical physics as a…
We report results of extensive Dynamical Monte Carlo investigations on self-assembled Equilibrium Polymers (EP) without loops in good solvent. (This is thought to provide a good model of giant surfactant micelles.) Using a novel algorithm…
Recent advances in the field of strongly correlated electron systems allow to access the entanglement properties of interacting fermionic models, by means of Monte Carlo simulations. We briefly review the techniques used in this context to…
We use Brownian dynamics simulations and advanced topological profiling methods to characterize the out-of-equilibrium evolution of self-entanglement in linear polymers confined into nano-channels and under periodic compression. We…
Modeling of polymer chains has received a lot of attention in mathematics. In fact, probabilistic models that naturally arise in statistical mechanics have been widely studied by mathematicians for the very challenging and novel problems…
We show how a Monte Carlo method for generating self-avoiding walks on lattice geometries which employs a binary-tree data structure can be adapted for hard-sphere polymers with continuous degrees of freedom. Data suggests that the time per…
Researchers in physical science aim to uncover universal features in strongly interacting many-body systems, often hidden in complicated observables like entanglement entropy (EE). The non-local nature of EE makes it challenging to compute…
We develop the hybrid Monte Carlo method for simulations of single off-lattice polymer chains. We discuss implementation and choice of simulation parameters in some detail. The performance of the algorithm is tested on models for…
We use entropy numbers in combination with the polynomial method to derive a new general lower bound for the n-th minimal error in the quantum setting of information-based complexity. As an application, we improve some lower bounds on…
We consider the force on the end of a polymer chain being pulled through a network at velocity $v$, using computer simulations. We develop algorithms for measuring the force on the end of the chain using lattice models of polymers. Our…
Variational methods are used to calculate structural and thermodynamical properties of a titrating polyelectrolyte in a discrete representation. The Coulomb interactions are emulated by harmonic repulsive forces, the force constants being…
We introduce a general Monte Carlo scheme for achieving atomistic simulations with monoelectronic Hamiltonians including the thermalization of both nuclear and electronic degrees of freedom. The kinetic Monte Carlo algorithm is used to…
We introduce a two-dimensional lattice model for the description of knotted polymer rings. A polymer configuration is modeled by a closed polygon drawn on the square diagonal lattice, with possible crossings describing pairs of strands of…
Entanglement of spatial bipartitions, used to explore lattice models in condensed matter physics, may be insufficient to fully describe itinerant quantum many-body systems in the continuum. We introduce a procedure to measure the R\'enyi…
Knots, links and entangled filaments appear in many physical systems of interest in biology and engineering. Classifying knots and measuring entanglement is of interest both for advancing knot theory, as well as for analyzing large data…
We calculate numerically the logarithmic contribution to the entanglement entropy of a cylindrical region in three spatial dimensions for both, free scalar and Dirac fields. The coefficient is universal and proportional to the type $c$…