Related papers: Computer simulation of quantum melting in hydrogen…
Monte Carlo computer simulations of a quasi two dimensional (2D) dipolar fluid at low and intermediate densities indicate that the structure of the fluid is well described by an ideal mixture of self-assembling clusters. A detailed analysis…
The conventional theory of homogeneous and heterogeneous nucleation in a supersaturated vapor is tested by Monte Carlo simulations of the lattice gas (Ising) model with nearest-neighbor attractive interactions on the simple cubic lattice.…
The superfluid-crystal quantum phase transition of a system of purely repulsive dipolar bosons in two dimensions is studied by Quantum Monte Carlo simulations at zero temperature. We determine freezing and melting densities, and estimate…
Many chemical reactions involve bond-dissociation. This is also true for reactions at solid surfaces, in which the dissociation step is often limiting but facilitated in comparison to gas phase reaction channels. This work considers…
We study the $z=0$ properties of clusters (and large groups) of galaxies within the context of interacting and non-interacting quintessence cosmological models, using a series of adiabatic SPH simulations. Initially, we examine the average…
We examine several different simplified approaches for modelling the chemistry of CO in three-dimensional numerical simulations of turbulent molecular clouds. We compare the different models both by looking at the behaviour of integrated…
Identifying the atomic structure and properties of solid hydrogen under high pressures is a long-standing problem of high-pressure physics with far-reaching significance in planetary and materials science. Determining the…
Computer simulations yield evidence of superfluid behavior of nanoscale size clusters of parahydrogen adsorbed on a graphite substrate at low temperature ($T\lesssim 0.25 \text{ K}$). Clusters with a number of molecules between 7 and 12…
We compute, including a current state-of-the-art treatment of hydrodynamical processes, heating and cooling, a variety of cosmological models into the extreme nonlinear phase to enable comparisons with observations. First, we note the…
We investigate differences in the molecular abundances between magnetically super- and sub-critical prestellar cores, performing three-dimensional non-ideal magnetohydrodynamical (MHD) simulations with varying densities and magnetic field…
Clusters containing a single magnetic impurity were investigated by scanning tunneling microscopy, spectroscopy, and ab initio electronic structure calculations. The Kondo temperature of a Co atom embedded in Cu clusters on Cu(111) exhibits…
We demonstrate that diffusiophoretic, thermophoretic and chemotactic phenomena in turbulence lead to clustering of particles on multi-fractal sets that can be described using one single framework, valid when the particle size is much…
Displacements of atoms and molecules away from lattice sites in helium and parahydrogen solids at low temperature have been studied by means of Quantum Monte Carlo simulations. In the bcc phases of He-3 and He-4, atomic displacements are…
We present cluster Monte Carlo algorithms for the $XYZ$ quantum spin models. In the special case of $S=1/2$, the new algorithm can be viewed as a cluster algorithm for the 8-vertex model. As an example, we study the $S=1/2$ $XY$ model in…
We present a novel, generally applicable Monte Carlo algorithm for the simulation of fluid systems. Geometric transformations are used to identify clusters of particles in such a manner that every cluster move is accepted, irrespective of…
Many experimental techniques such as tagging photodissociation and helium nanodroplet isolation spectroscopy operate at very low temperatures in order to investigate hydrogen bonding. To elucidate the differences between such ultra-cold and…
We use molecular dynamics simulations to study a model of the gelation transition with a dynamic bond forming procedure. After establishing evidence for 3D percolation as the static universality class, we turn our attention to the dynamics…
The design of moderators and cold sources of neutrons is a key point in research-reactor physics, requiring extensive knowledge of the scattering properties of very important light molecular liquids such as methane, hydrogen and their…
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…
We introduce an exactly solvable statistical-mechanical model of the hydration of non-polar compounds, based on grouping water molecules in clusters where hydrogen bonds and isotropic interactions occur; interactions between clusters are…