Related papers: Folding kinetics of a polymer [corrigendum]
In this work we propose a criterion to finish the simulations of the Wang-Landau sampling. Instead of determining a final modification factor for all simulations and every sample sizes, we investigate the behavior of the temperature of the…
The thermodynamic properties of systems with long-range interactions is still an ongoing challenge, both from the point of view of theory as well as computer simulation. In this work we study a model system, a Coulomb gas confined inside a…
In this paper, we derive corrections to the subleading logarithmic term of the entanglement entropy in systems with spontaneous broken continuous symmetry. Using quantum Monte Carlo simulations, we show that the improved scaling formula…
The entanglement entropy probing novel phases and phase transitions numerically via quantum Monte Carlo has made great achievements in large-scale interacting spin/boson systems. In contrast, the numerical exploration in interacting fermion…
In this study, we propose a theoretical framework to investigate the interactions between flexible polymer chains, specifically polyelectrolytes (PEs). By calculating the system's free energy while considering position-dependent mutual…
Force induced stretching of polymers is important in a variety of contexts. We have used theory and simulations to describe the response of homopolymers, with $N$ monomers, to force ($f$) in good and poor solvents. In good solvents and for…
We present numerical simulations of phase imprinting experiments in ultracold trapped Fermi gases which are in good agreement with recent, independent experimental results. Our focus is on the sequence and evolution of defects using the…
We test the validity of some widely used phenomenological criteria for the localization of the fluid-solid transition thresholds against the phase diagrams of particles interacting through the exp-6, inverse-power-law, and Gaussian…
The entanglement entropy of free fermions with a Fermi surface is known to obey a logarithmic scaling and violate the area law in all dimensions. Here, we would like to see how temperature affects the logarithmic scaling behavior. To this…
We study Hofstadter bilayers, i.e. coupled hopping models on two-dimensional square lattices in a perpendicular magnetic field. Upon tracing out one of the layers, we find an explicit expression for the resulting entanglement spectrum in…
We investigate numerically the low temperature equilibration of glassy systems via non-local Monte Carlo methods. We re-examine several systems that have been studied previously and investigate new systems in order to test the performance…
Single-molecule experiments with optical tweezers have become an important tool to study the properties and mechanisms of biological systems, such as cells and nucleic acids. In particular, force unzipping experiments have been used to…
Using extensive Monte Carlo simulations, we study the interface localization- delocalization transition of a thin Ising film with antisymmetric competing walls for a set of parameters where the transition is strongly first-order. This is…
The glass transition of supercooled fluids is a particular challenge for computer simulation, because the (longest) relaxation times increase by about 15 decades upon approaching the transition temperature T_g. Brute-force molecular…
A Monte Carlo (MC) simulation method based on the Gillespie algorithm is developed for the polymerization of branched polyetherimides from two back-bone monomers [4,4'-bisphenol A dianhydride (BPADA) and m-phenylenediamine (MPD)], a chain…
The formation of chain-folded structures from the melt is observed in molecular dynamics simulations resembling the lamellae of polymer crystals. Crystallization and subsequent melting temperatures are related linearly to the inverse…
Investigating thermodynamic properties of liquid-solid transitions of flexible homopolymers with elastic bonds by means of multicanonical Monte Carlo simulations, we find crystalline conformations that resemble ground-state structures of…
In the present work, crystallization in melts and poor-solvent solutions of semiflexible polymers with different concentration was studied by means of dissipative particle dynamics simulation technique. We use a coarse-grained polymer model…
The results obtained from molecular dynamics simulations of the friction at an interface between polymer melts and weakly attractive crystalline surfaces are reported. We consider a coarse-grained bead-spring model of linear chains with…
We re-examine the constraints which can be robustly obtained from the observed temperature function of X-ray cluster of galaxies. The cluster mass function has been thoroughly studied in simulations and analytically, but a direct simulation…