Related papers: Macroscopically constrained Wang-Landau method for…
Evaluation of global thermodynamic properties, such as the entropy or the free energy, of complex systems featuring a high degree of frustration or disorder is often desirable. Nevertheless, they cannot be measured directly in standard…
A recently introduced representation by a set of Wang tiles -- a generalization of the traditional Periodic Unit Cell based approach -- serves as a reduced geometrical model for materials with stochastic heterogeneous microstructure,…
Evaporation/condensation transition of the Potts model on square lattice is numerically investigated by the Wang-Landau sampling method. Intrinsically system size dependent discrete transition between supersaturation state and…
We report a new multicanonical Monte Carlo algorithm to obtain the density of states for physical systems with continuous state variables in statistical mechanics. Our algorithm is able to obtain a closed-form expression for the density of…
The multiple range random walk algorithm recently proposed by Wang and Landau [Phys. Rev. Lett. 86, 2050 (2001)] is adapted to the computation of free energy profiles for molecular systems along reaction coordinates. More generally, we show…
We propose and implement a third-order accurate numerical scheme for the Landau-Lifshitz-Gilbert equation, which describes magnetization dynamics in ferromagnetic materials under large damping parameters. This method offers two key…
We present an efficient Monte-Carlo method for long-range interacting systems to calculate free energy as a function of an order parameter. In this method, a variant of the Wang-Landau method regarding the order parameter is combined with…
We introduce a parallel Wang-Landau method based on the replica-exchange framework for Monte Carlo simulations. To demonstrate its advantages and general applicability for simulations of complex systems, we apply it to different spin models…
We investigate the tricritical scaling behavior of the two-dimensional spin-$1$ Blume-Capel model using the Wang-Landau method measuring the joint density of states for lattice sizes up to $48\times 48$ sites. The first-order transition…
Multivariate phase relationships are important to characterize and understand numerous physical, biological, and chemical systems, from electromagnetic waves to neural oscillations. These systems exhibit complex spatiotemporal dynamics and…
Distinguished from the system with one order parameter, systems described by two or more order parameters will manifest more complex and much richer phase diagram and critical phenomena. In systems of two order parameters, the phase…
We provide a numerical study of the macroscopic model of [3] derived from an agent-based model for a system of particles interacting through a dynamical network of links. Assuming that the network remodelling process is very fast, the…
We present a theoretical analysis of the temperature-magnetic field-concentration phase diagram of the multiferroic Mn$_{1-x}$M$_{x}$WO$_{4}$ (M=Fe, Zn, Mg), which exhibits three ordered phases, with collinear and non-collinear…
Flat histogram methods, such as Wang--Landau sampling, provide a means for high-throughput calculation of phase diagrams of atomistic/lattice model systems. Many parallelisation schemes with varying degrees of complexity have been proposed…
Paying attention to the difference of density of states, \Delta ln g(E) = ln g(E+\Delta E) - ln g(E), we study the convergence of the Wang-Landau method. We show that this quantity is a good estimator to discuss the errors of convergence,…
Computer simulations of first-order phase transitions using standard toroidal boundary conditions are generally hampered by exponential slowing down. This is partly due to interface formation, and partly due to shape transitions. The latter…
We study the Ising model under a time-varying, but spatially homogeneous, Gaussian random magnetic field. In the Monte Carlo simulations, we go beyond the standard analysis of the order parameter by measuring the magnetization probability…
We present a simple method to obtain optimal posterior distributions and improve the quality of Bayesian inference with reduced human and computational effort. Bayes' Theorem is reformulated in the language of statistical mechanics, wherein…
A second order accurate numerical scheme is proposed and implemented for the Landau-Lifshitz-Gilbert equation, which models magnetization dynamics in ferromagnetic materials, with large damping parameters. The main advantages of this method…
Soft porous crystals are flexible metal-organic frameworks that respond to physical stimuli such as temperature, pressure, and gas adsorption by large changes in their structure and unit cell volume. While they have attracted a lot of…