Related papers: Energy non-equipartition in multicomponent granula…
Density matrix quantum Monte Carlo (DMQMC) is used to sample exact-on-average $N$-body density matrices for uniform electron gas systems of up to 10$^{124}$ matrix elements via a stochastic solution of the Bloch equation. The results of…
We study the behavior of an assembly of $N$ granular particles contained in two compartments within a simple kinetic approach. The particles belonging to each compartment collide inelastically with each other and are driven by a stochastic…
Models of grain boundary energy are essential for predicting the behavior of polycrystalline materials. Typical models represent the minimum boundary energy as a function of macroscopic boundary parameters. An energy model may allow for…
In this article, we propose a generalized non-equilibrium chemical kinetics model from \textit{ab initio} simulation data obtained using accurate potential energy surfaces developed recently for the purpose of studying high-temperature air…
The variational and diffusion quantum Monte Carlo methods are used to calculate the correlation energy of the paramagnetic three-dimensional homogeneous electron gas at intermediate to high density. Ground state energies in finite cells are…
We present a low-scaling diagrammatic Monte Carlo approach to molecular correlation energies. Using combinatorial graph theory to encode many-body Hugenholtz diagrams, we sample the M{\o}ller-Plesset (MPn) perturbation series, obtaining…
The state of the hot gas in clusters of galaxies is investigated with a set of model clusters, created by assuming a polytropic equation of state (Gamma=1.2) and hydrostatic equilibrium inside gravitational potential wells drawn from a dark…
Multi-attribute classification generalizes classification, presenting new challenges for making accurate predictions and quantifying uncertainty. We build upon recent work and show that architectures for multi-attribute prediction can be…
We have developed a Monte Carlo simulation describing the $2 \rightarrow 2$ scatterings of perturbatively produced, non-eikonally propagating high-energy partons with the quarks and gluons of the expanding QCD medium created in…
Steady simple shear flow of a low-density binary mixture of inelastic smooth hard spheres is studied in the context of the Boltzmann equation. This equation is solved by using two different and complementary approaches: a Sonine polynomial…
We study by numerical simulations the two-dimensional Inelastic Maxwell Model (IMM), and show how the inelasticity of collisions together with the fluctuations of the number of collisions undergone by a particle lead to energy fluctuations…
In the regime where traditional approaches to electronic structure cannot afford to achieve accurate energy differences via exhaustive wave function flexibility, rigorous approaches to balancing different states' accuracies become…
The difference of temperatures between an impurity and the surrounding gas in an open vibrated granular system is studied. It is shown that, in spite of the high inhomogeneity of the state, the temperature ratio remains constant in the bulk…
A great many observables seen in intermediate energy heavy ion collisions can be explained on the basis of statistical equilibrium. Calculations based on statistical equilibrium can be implemented in microcanonical ensemble (energy and…
One considers the motion of a test particle in an homogeneous fluid in equilibrium at temperature $T$, undergoing dissipative collisions with the fluid particles. It is shown that the corresponding linear Boltzmann equation still posseses a…
This paper shows how mesoscopic nonequilibrium thermodynamics can be applied to condensation and evaporation. By extending the normal set of thermodynamic variables with two internal variables, we are able to give a new theoretical…
Kernel Estimation provides an unbinned and non-parametric estimate of the probability density function from which a set of data is drawn. In the first section, after a brief discussion on parametric and non-parametric methods, the theory of…
An overview of recent work on Monte Carlo simulations of a granular binary mixture is presented. The results are obtained numerically solving the Enskog equation for inelastic hard-spheres by means of an extension of the well-known direct…
The double and single differential cross-sections with respect to positron and electron energies as well as the total cross-section of triplet production in the laboratory frame are calculated numerically in order to develop a Monte Carlo…
By the Wolff's cluster Monte Carlo simulations and numerical minimization within a mean field approach, we study the low temperature phase diagram of water, adopting a cell model that reproduces the known properties of water in its fluid…