Related papers: N-body simulations using customised potential-dens…
Simple models for spherical particles with a soft shell have been shown to self-assemble into numerous crystal phases and even quasicrystals. However, most of these models rely on a simple pairwise interaction, which is usually a valid…
There are several physically motivated density matrix functionals in the literature, built from the knowledge of the natural orbitals and the occupation numbers of the one-body reduced density matrix. With the help of the equivalent…
We have developed and implemented a self-consistent density functional method using standard norm-conserving pseudopotentials and a flexible, numerical LCAO basis set, which includes multiple-zeta and polarization orbitals. Exchange and…
Molecular-dynamics simulation can give atomistic information on the processes occurring in nanoindentation experiments. In particular, the nucleation of dislocation loops, their growth, interaction and motion can be studied. We investigate…
Stellar systems are broadly divided into collisional and non-collisional. The latter are large-N systems with long relaxation timescales and can be simulated disregarding two-body interactions, while either computationally expensive direct…
Thin stellar discs on both galactic and nuclear, sub-kpc scales are believed to be fragile structures that would be easily destroyed in major mergers. In turn, this makes the age-dating of their stellar populations a useful diagnostics for…
Chemo-dynamical N-body simulations are an essential tool for understanding the formation and evolution of galaxies. As the number of observationally determined stellar abundances continues to climb, these simulations are able to provide new…
Astrophysical systems differ often in two points from classical thermodynamical systems: 1.) They are open and 2.) gravity is a dominant factor. Both modifies the homogeneous equilibrium structure, known from classical thermodynamics. In…
By the use of the variational method with exponential trial functions the upper and lower bounds of energy are calculated for a number of non-relativistic three-body Coulomb and nuclear systems. The formulas for calculation of upper and…
Astrophysical Challenges which demand the solution of the one million (or more) gravitating body problem are briefly discussed for the fields of cosmology, galactic nuclei and globular star clusters. Results from the classical three-body…
The gravitationally-driven evolution of cold dark matter dominates the formation of structure in the Universe over a wide range of length scales. While the longest scales can be treated by perturbation theory, a fully quantitative…
First principles calculations based on density functional theory are having an incerasing impact on our understanding of molecule-surface interactions. For example, calculations of the multi-dimensional potential energy surface have…
In this work, a new functional is introduced to treat pairing correlations in finite many-body systems. Guided by the projected BCS framework, the energy is written as a functional of occupation numbers. It is shown to generalize the BCS…
A method is presented to bend a thin massive line when the curvature is small. The procedure is applied to a homogeneous thin bar with two types of curvatures. One of them mimics a galactic bar with two spiral arms at its tips. It is showed…
This report describes a modification of the orthogonal function Poisson solver for n-body simulations that minimizes relaxation caused by small particle number fluctuations. With the standard algorithm, the noise leading to relaxation can…
Debris discs are traditionally studied using two distinct types of numerical models: statistical particle-in-a-box codes to study their collisional and size distribution evolution, and dynamical N-body models to study their spatial…
The requirement that planetary systems be dynamically stable is often used to vet new discoveries or set limits on unconstrained masses or orbital elements. This is typically carried out via computationally expensive N-body simulations. We…
Cosmological hydrodynamical simulations, while the current state-of-the art methodology for generating theoretical predictions for the large scale structures of the Universe, are among the most expensive simulation tools, requiring upwards…
Experiments have reached a monumental capacity for designing and synthesizing microscopic particles for self-assembly, making it possible to precisely control particle concentrations, shapes, and interactions. However, more physical insight…
We study the dynamical evolution of idealised stellar systems by averaging results from many $N$-body simulations, each having modest numbers of stars. For isolated systems with stars of uniform mass, we discuss aspects of evolution up to…