Related papers: Sampling the density of states
A `polydisperse' system has an infinite number of conserved densities. We give a rational procedure for projecting its infinite-dimensional free energy surface onto a subspace comprising a finite number of linear combinations of densities…
We propose a new method to compute the free energy or enthalpy of fluids or disordered solids by computer simulation . The main idea is to construct a reference system by freezing one representative configuration, and then carry out a…
The current density of states (DOS) calculations do not take into account the essential discreteness of the state space, since they rely on the unbounded continuum approximation. Recently, discrete DOS based on the quantum-mechanically…
Since its introduction, the Potts model has gained widespread popularity across various fields due to its diverse applications. Even minor advancements in this model continue to captivate scientists worldwide, and small modifications often…
We introduce a lightweight, flexible and end-to-end trainable probability density model parameterized by a constrained Fourier basis. We assess its performance at approximating a range of multi-modal 1D densities, which are generally…
Simple application of the Einstein model combined with the elastic description of solid state is developed. The frequency of quantum oscillators has been assumed as volume dependent and, furthermore, elastic energy terms of static character…
We propose a data-driven method to describe consistent equations of state (EOS) for arbitrary systems. Complex EOS are traditionally obtained by fitting suitable analytical expressions to thermophysical data. A key aspect of EOS are that…
We use a previously introduced mapping between the continuum percolation model and the Potts fluid (a system of interacting s-states spins which are free to move in the continuum) to derive the low density expansion of the pair…
Using the recently proposed multicanonical ensemble, we perform Monte Carlo simulation for the 2d 7-state Potts model and calculate its surface free energy density (surface tension) to be $2 f^s = 0.0241 \pm 0.0010$. This is an order of…
This paper presents a study on the relationship between transport properties and geometric free volume for hard sphere (HS) system in dense fluid region. Firstly, a generic free volume distribution function is proposed based on recent…
We calculate the density of states in the half-filled Hubbard model on a Bethe lattice with infinite connectivity. Based on our analytical results to second order in $t/U$, we propose a new `Fixed-Energy Exact Diagonalization' scheme for…
We have considered a model of a small finite system with internal particles and surface degrees of freedom. All the main statistical distributions were explicitly obtained, on a pre thermodynamic limit basis. The concept of temperature or…
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…
Among the stationary configurations of the Hamiltonian of a classical O$(n)$ lattice spin model, a class can be identified which is in one-to-one correspondence with all the the configurations of an Ising model defined on the same lattice…
We introduce a constructive framework for assigning thermodynamic structure to an arbitrary data system from its measured microstates. Starting from an empirical distribution over configurations, we first infer a data-driven energy function…
The basic continuum model for polar fluids is deceptively simple. The free energy integral consists of four terms: The coupling of polarization to an external field, the electrostatic energy of the induced electric field interacting with…
We study using Monte Carlo simulations the finite-size scaling behavior of the interfacial adsorption of the two-dimensional square-lattice $q$-states Potts model. We consider the pure and random-bond versions of the Potts model for $q =…
We present exact calculations of the Potts model partition function $Z(G,q,v)$ for arbitrary $q$ and temperature-like variable $v$ on self-dual strip graphs $G$ of the square lattice with fixed width $L_y$ and arbitrarily great length $L_x$…
The self-consistent inclusion of plasma effects in opacity calculations is a significant modeling challenge. As density increases, such effects can no longer be treated perturbatively. Building on a recently published model that addresses…
A direct and exact method for calculating the density of states for systems with localized potentials is presented. The method is based on explicit inversion of the operator $E-H$. The operator is written in the discrete variable…