Related papers: A numerical method for determining the interface f…
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,…
We present a lattice Boltzmann algorithm based on an underlying free energy that allows the simulation of the dynamics of a multicomponent system with an arbitrary number of components. The thermodynamic properties, such as the chemical…
We propose a method, Temperature Integration, which allows an efficient calculation of free energy differences between two systems of interest, with the same degrees of freedom, which may have rough energy landscapes. The method is based on…
When studying high-dimensional dynamical systems such as macromolecules, quantum systems and polymers, a prime concern is the identification of the most probable states and their stationary probabilities or free energies. Often, these…
We calculate the zero-temperature self-energy to fourth-order perturbation theory in the Hubbard interaction $U$ for the half-filled Hubbard model in infinite dimensions. For the Bethe lattice with bare bandwidth $W$, we compare our…
A method for calculating the short-range order part of the free energy of order-disorder systems is proposed. The method is based on the apllication of the cumulant expansion to the exact configurational entropy. Second-order correlation…
The Ginzburg - Landau theory is used for the superconducting structures free energy fluctuations study. On its basis, we have defined the value of the heat capacity jump in the macroscopic zero-dimensional sample and in the zero-dimensional…
Results from spectral geometry such as Weyl's formula can be used to relate the thermodynamic properties of a free massless field to the spatial manifold on which it is defined. We begin by calculating the free energy in two cases:…
The Landau Free Energy determines the landscape of order parameter fluctuations that occur in a physical system at thermal equilibrium and, in particular, characterizes the critical phenomena. We propose a semi-analytical approach based on…
When a nonequilibrium growing interface in the presence of a wall is considered a nonequilibrium wetting transition may take place. This transition can be studied trough Langevin equations or discrete growth models. In the first case, the…
A numerical method to calculate equilibrium vortex-line configurations in bulk anisotropic type-II superconductors, at zero temperature, placed in an external magnetic field is introduced and applied to two physical problems. The method is…
The density of state approach has recently been proposed as a potential route to circumvent the sign problem in systems at finite density. In this study, using the Linear Logarithmic Relaxation (LLR) algorithm, we extract the generalised…
Using the bond-propagation algorithm, we study the finite-size behavior of the critical two-dimensional Ising model on a finite triangular lattice with free boundaries in five shapes: triangle, rhombus, trapezoid, hexagon and rectangle. The…
We propose an experimental approach for determining thermodynamic properties of ultracold atomic gases with short-range interactions. As a test case, we focus on the one-dimensional (1D) Bose gas described by the integrable Lieb-Liniger…
The absolute free energy -- or partition function, equivalently -- of a molecule can be estimated computationally using a suitable reference system. Here, we demonstrate a practical method for staging such calculations by growing a molecule…
Accurate state estimation is a crucial requirement for the reliable operation and control of electric power systems. Here, we construct a data-driven, numerical method to infer missing power load values in large-scale power grids. Given…
We present a method for determining the free energy of coexisting states from irreversible work measurements. Our approach is based on a fluctuation relation that is valid for dissipative transformations in partially equilibrated systems.…
We determine the optimal scaling of local-update flat-histogram methods with system size by using a perfect flat-histogram scheme based on the exact density of states of 2D Ising models.The typical tunneling time needed to sample the entire…
Jarzynski's equality provides an elegant and powerful tool to directly compute differences in free energy in Monte Carlo simulations and it can be readily extended to lattice gauge theories to compute a large set of physically interesting…
We propose a new approach, "structure integration", enabling direct evaluation of configurational free energy for large systems. The present approach is based on the statistical information of lattice. Through first-principles-based…