Related papers: Efficient implementation of the Wang-Landau algori…
Critical properties of lattice gases with nearest-neighbor exclusion are investigated via the adaptive-window Wang-Landau algorithm on the square and simple cubic lattices, for which the model is known to exhibit an Ising-like phase…
We exploit a prescription to observe directly the physical properties of the thermodynamic limit under continuously applied field in one-dimensional quantum finite lattice systems. By systematically scaling down the energy of the…
It is shown in this work how the Wang-Landau algorithm can be parallelized through the concept of the micromagnetic ensemble, when the Hamiltonian contains both spin interaction and the external field terms, and thus energy-magnetization…
We establish an analytical criterion for dynamical thermalization within harmonic systems, applicable to both classical and quantum models. Specifically, we prove that thermalization of various observables, such as particle energies in…
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 develop an approach to apply Wang-Landau algorithm to multicomponent alloys in semi-grand-canonical ensemble. Although the Wang-Landau algorithm has great advantages over conventional sampling methods, there are few applications to…
A convenient way to calculate $N$-particle quantum partition functions is by confining the particles in a weak harmonic potential instead of using a finite box or periodic boundary conditions. There is, however, a slightly different…
Many-particle systems pose commonly known computational challenges in quantum theory. The obstacles arise from the difficulty in finding sets of eigenvalues and eigenvectors of the underlying Hamiltonian while enforcing fermion or boson…
We report on numerical simulations of the two-dimensional Blume-Capel ferromagnet embedded in the triangular lattice. The model is studied in both its first- and second-order phase transition regime for several values of the crystal field…
We consider a system of classical particles confined in a box $\Lambda\subset\mathbb{R}^d$ with zero boundary conditions interacting via a stable and regular pair potential. Based on the validity of the cluster expansion for the canonical…
In this paper, we study the thermodynamics of short-range central potentials, namely, the Lee-Wick potential, and the Plasma potential. In the first part of the paper we obtain the numerical solution for the orbits equation for these…
We study a harmonic molecule confined to a one--dimensional box with impenetrable walls. We explicitly consider the symmetry of the problem for the cases of different and equal masses. We propose suitable variational functions and compare…
Quantum dynamics can be analyzed via the structure of energy eigenstates. However, in the many-body setting, preparing eigenstates associated with finite temperatures requires time scaling exponentially with system size. In this work we…
We formally extend the energy landscape approach for the thermodynamics of liquids to account for saddle points. By considering the extensive nature of macroscopic potential energies, we derive the scaling behavior of saddles with system…
We develop a perturbation theory of quantum (and classical) master equations with slowly varying parameters, applicable to systems which are externally controlled on a time scale much longer than their characteristic relaxation time. We…
We propose a new Monte Carlo algorithm for the free energy calculation based on configuration space sampling. We implement this algorithm for Ising model. Comparison with the exact free energy shows an excellent agreement. We analyse the…
Computational studies of the thermodynamic properties of materials at the mesoscopic and macroscopic scales -- involving lengths and times of at least $\mu$m and $\mu$s, respectively -- rely on a coarse-graining approximation such that only…
The development of new algorithms for simulations in physics is as important as the development of new analytical methods. In this paper, we present a comparison of the recently developed microcanonical population annealing (MCPA) algorithm…
We use the factorization method to find the exact eigenvalues and eigenfunctions for a particle in a box with the delta function potential $V(x)=\lambda\delta(x-x_{0})$. We show that the presence of the potential results in the…
A quantum thermodynamic system is described by a Hamiltonian and a list of conserved, non-commuting charges, and a fundamental goal is to determine the minimum energy of the system subject to constraints on the charges. Recently, [Liu et…