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Coupled, dynamical spin-lattice models provide a unique test ground for simulations investigating the finite-temperature magnetic properties of materials under the direct influence of the lattice vibrations. These models are constructed by…
The thermodynamic properties for three different types of off-lattice four-strand beta-sheet protein models interacting via a hybrid Go-type potential have been investigated. Discontinuous molecular dynamic simulations have been performed…
We present modified Wang-Landau algorithm for models with continuous degrees of freedom. We demonstrate this algorithm with the calculation of the joint density of states $g(M,E)$ of ferromagnet Heisenberg models. The joint density of…
An algorithm to calculate the density of states, based on the well-known Wang-Landau method, is introduced. Independent random walks are performed in different restricted ranges of energy, and the resultant density of states is modified by…
Critical wetting transitions under nonequilibrium conditions are studied numerically and analytically by means of an interface-displacement model defined by a Kardar-Parisi-Zhang equation, plus some extra terms representing a limiting,…
Four results associated with the diffuse-interface model (DIM) for contact lines are reported in this paper. First, a boundary condition is derived, which states that the fluid near a solid wall must have a certain density $\rho_{0}$…
The HP model of protein folding, where the chain exists in a free medium, is investigated using a parallel Monte Carlo scheme based upon Wang-Landau sampling. Expanding on the work of Wust and Landau by introducing a lesser known replica…
We present an efficient Monte Carlo algorithm for determining the density of states which is based on the statistics of transition probabilities between states. By measuring the infinite temperature transition probabilities--that is, the…
We present a simple and efficient approximation scheme which greatly facilitates extension of Wang-Landau sampling (or similar techniques) in large systems for the estimation of critical behavior. The method, presented in an algorithmic…
We examine the order of the phase transition in the Potts model by using the graph representation for the partition function, which allows treating a non-integer number of Potts states. The order of transition is determined by the analysis…
We analyze the convergence properties of the Wang-Landau algorithm. This sampling method belongs to the general class of adaptive importance sampling strategies which use the free energy along a chosen reaction coordinate as a bias. Such…
We present a Monte Carlo method that efficiently computes the density of states for spin models having any number of interaction per spin. By combining a random-walk in the energy space with collective updates controlled by the…
We develop a mesoscale computational model to describe the interaction of a droplet with a solid. The model is based on the hybrid combination of the immersed boundary and the lattice Boltzmann computational schemes: the former is used to…
A finite-size scaling approach based on the transfer matrix method is developed to calculate the critical temperature and critical exponent of the symmetric and the asymmetric two-layer three-state Potts Models. For similar intralayer…
Inspired by recent advances in the chromosome capture techniques, a method is proposed to study the structural organization of systems of polymers rings with topological constraints.To this purpose, the system is divided into compartments…
We study the thermodynamics of short-range interacting, two-dimensional bosons constrained to the lowest Landau level. When the temperature is higher than other energy scales of the problem, the partition function reduces to a…
We implement a Wang-Landau sampling technique in quantum Monte Carlo (QMC) for the purpose of calculating the Renyi entanglement entropies and associated mutual information. The algorithm converges an estimate for an analogue to the density…
We study two widely used algorithms for the Potts model on rectangular subsets of the hypercubic lattice Z^d - heat bath dynamics and the Swendsen-Wang algorithm - and prove that, under certain circumstances, the mixing in these algorithms…
The problem of determining the ground state of a $d$-dimensional interface embedded in a $(d+1)$-dimensional random medium is treated numerically. Using a minimum-cut algorithm, the exact ground states can be found for a number of problems…
In this article we create a new algorithm for the perfect simulation of the infinite Potts model at a sufficiently small or at a sufficiently high temperature, in particular under the transition phase temperature. We study the model for…