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We model electronic properties of the second monolayer Na adatom islands (quantum dots) on the Cu(111) surface covered homogeneously by the first Na monolayer. An axially-symmetric three-dimensional jellium model, taking into account the…
We present a comparison between simulation results and X-ray observational data on the evolution of the metallicity of the intra-cluster medium (ICM). The simulations of galaxy clusters were performed with the Tree-SPH Gadget2 code that…
We study the electronic structure of a spherical jellium in the presence of a central Gaussian impurity. We test how well the resulting inhomogeneity effects beyond spherical jellium are reproduced by several approximations of density…
The intracluster medium (ICM), composed of hot plasma, dominates the baryonic content of galaxy clusters and is primarily observable in X-rays. Its thermodynamic properties, pressure, temperature, entropy, and electron density, offer…
In order to control and tailor the properties of nanodots, it is essential to separate the effects of quantum confinement from those due to the surface, and to gain insight into the influence of preparation conditions on the dot physical…
We analyse parallel N-body simulations of three Cold Dark Matter (CDM) universes to study the abundance and clustering of galaxy clusters. The simulations cover a volume comparable to the forthcoming SDSS. We are able to make robust…
We investigate the prospects for detecting and constraining density and temperature inhomogeneities in the circumgalactic medium (CGM) using absorption measurements of metal ions. Distributions in the gas thermal properties could arise from…
The thermodynamic and structural properties of (NH$_4$Cl)$_n$ clusters, n=3-10 are studied. Using the method of simulated annealing, the geometries of several isomers for each cluster size are examined. Jump-walking Monte Carlo simulations…
The static response properties and the structural stability of silver clusters in the size range $1\le n \le 23$ have been studied using a linear combination of atomic Gaussian-type orbitals within the density functional theory in the…
Recent path-integral Monte Carlo and quantum molecular dynamics simulations have shown that computationally efficient average-atom models can predict thermodynamic states in warm dense matter to within a few percent. One such…
Angular resolved photoelectron spectra of metal clusters have been experimentally measured for the first time only recently. These measurements have been performed systematically for sodium clusters in a broad range of cluster sizes. This…
We have used density functional perturbation theory to investigate the stiffness of interatomic bonds in small clusters of Si, Sn and Pb. As the number of atoms in a cluster is decreased, there is a marked shortening and stiffening of…
Atom-in-jellium calculations of the electron states, and perturbative calculations of the Einstein frequency, were used to construct equations of state (EOS) from around $10^{-5}$ to $10^7$g/cm$^3$ and $10^{-4}$ to $10^{6}$eV for elements…
Results from a large set of hydrodynamical SPH simulations of galaxy clusters in a flat LCDM cosmology are used to investigate cluster X-ray properties. The physical modeling of the gas includes radiative cooling, star formation, energy…
We have carried out extensive density functional calculations for series of sodium clusters $Na$$_{N}$ ranging from $N$=10 to 147 and have obtained $\approx$ 13000 distinct isomers. We unravel a number of striking features of the growth…
The formation, growth, structure and cluster size distribution (CSD) properties in a two-dimensional system of particles interacting with Lennard-Jones (LJ) potential under controlled cooling condition have been studied using Monte-Carlo…
We present a study on the origin of the metallicity evolution of the intra-cluster medium (ICM) by applying a semi-analytic model of galaxy formation to N-body/SPH (smoothed particle hydrodynamic) non-radiative numerical simulations of…
We present a second-nearest-neighbor Modified Embedded Atom Method (2NN--MEAM) potential for Scandium (Sc) and Aluminum-Scandium (Al--Sc) alloys that unifies cohesive, thermodynamic, and solidification behavior within a single transferable…
The equation of state with light clusters for nuclear and stellar matter is determined using chemical equilibrium constants evaluated from the analysis of the recently published (Xe$+$Sn) heavy ion data, corresponding to three reactions…
The dynamics of fermionic many-body systems is investigated in the framework of Boltzmann-Langevin (BL) stochastic one-body approaches. Within the recently introduced BLOB model, we examine the interplay between mean-field effects and…