Related papers: Simple CVM-based approximations for the configurat…
The lowest order constrained variational method is applied to calculate the polarized symmetrical nuclear matter properties with the modern $AV_{18}$ potential performing microscopic calculations. Results based on the consideration of…
The method of calculating the free energy and thermodynamic characteristics of the classical n-vector three-dimensional (3D) magnetic model at the microscopic level without any adjustable parameters is proposed. Mathematical description is…
Molecule- and particle-based simulations provide the tools to test, in microscopic detail, the validity of classical nucleation theory. In this endeavour, determining nucleation mechanisms and rates for phase separation requires an…
We describe a systematic method for complete enumeration of configuration classes (CCs) of the spin-1/2 Ising model in the energy-magnetization plane. This technique is applied to the antiferromagnetic Ising model in an external magnetic…
We develop a maximum relative entropy formalism to generate optimal approximations to probability distributions. The central results consist in (a) justifying the use of relative entropy as the uniquely natural criterion to select a…
The combination of Markov state modeling (MSM) and molecular dynamics (MD) simulations has been shown in recent years to be a valuable approach to unravel the slow processes of molecular systems with increasing complexity. While the…
The atomic ordering in complex perovskite alloys is investigated by the cluster variation method (CVM). For the 1/3\{111\}-type ordered structure, the order-disorder phase transition is the first order, and the order parameter of the 1:2…
We propose a novel stochastic reduced-order model (SROM) for complex systems by combining clustering and classification strategies. Specifically, the distance and centroid of centroidal Voronoi tessellation (CVT) are redefined according to…
Entropy measures quantify the amount of information and correlation present in a quantum system. In practice, when the quantum state is unknown and only copies thereof are available, one must resort to the estimation of such entropy…
Complementarity relations between various characterizations of a probability distribution are at the core of information theory. In particular, lower and upper bounds for the entropic function are of great importance. In applied topics, we…
We introduce an exactly solvable lattice model that reveals a universal finite-size scaling law for configurational entropy driven purely by geometry. Using exact enumeration via Burnside's lemma, we compute the entropy for diverse 1D, 2D,…
We develop an energy-decreasing algorithm for the finite element approximation of two-dimensional ferronematic equilibrium states. The problem is formulated as the minimization of the harmonic energy of two two-dimensional vector fields,…
Conventional methods to determine non-perturbative parameters in QCD, such as the different variants of QCD sum rules or the minimal hadronic approximation, combine a certain degree of matching to QCD with inputs from hadronic parameters.…
We show that for weakly dependent random variables the relative entropy functional satisfies an approximate version of the standard tensorization property which holds in the independent case. As a corollary we obtain a family of…
An extension of the relativistic density functional approach to the equation of state for strongly interacting matter is suggested which generalizes a recently developed modified excluded-volume mechanism to the case of temperature and…
The discrete Fourier transform is approximated by summing over part of the terms with corresponding weights. The approximation reduces significantly the requirement for computer memory storage and enhances the numerical computation…
A method is proposed to approximate the unlimited subcritical set of Mayer`s reducible cluster integrals (i.e., the power coefficients of the known virial expansions for pressure and density in powers of activity) on the basis of…
Despite being invented in 1951 by R. Kikuchi, the 2-D Cluster Variation Method (CVM), has not yet received attention. Nevertheless, this method can usefully characterize 2-D topographies using just two parameters; the activation enthalpy…
We will analyze the itinerant model for ferromagnetism with both single-site and two-site electron correlations. We will include band degeneration into the model. This will allow us to consider the on-site exchange interactions in the…
We study thermodynamic formalism of dynamical systems with non-uniform structure. Precisely, we obtain the uniqueness of equilibrium states for a family of non-uniformly expansive flows by generalizing Climenhaga-Thompson's orbit…