Related papers: Quantification of Crystal Packing Similarity from …
Employing Monte-Carlo simulation techniques we investigate the statistical properties of equally charged particles confined in a one-dimensional box trap and detect a crossover from a crystalline to a cluster phase with increasing…
We investigate the kinetics and the free energy landscape of the crystallization of hard spheres from a supersaturated metastable liquid though direct simulations and forward flux sampling. In this first paper, we describe and test two…
We propose a computationally lean, two-stage approach that reliably predicts self-assembly behavior of complex charged molecules on a metallic surfaces under electrochemical conditions. Stage one uses ab initio simulations to provide…
In this series of papers we study the structure of the atomic to molecular transition in the giant atomic-molecular complexes that are the repositories of most molecular gas in galaxies, with the ultimate goal of attaining a better…
We review a geometric approach to classification and examination of quantum correlations in composite systems. Since quantum information tasks are usually achieved by manipulating spin and alike systems or, in general, systems with a finite…
In experimental systems, colloidal particles are virtually always at least somewhat polydisperse, which can have profound effects on their ability to crystallize. Unfortunately, accurately predicting the effects of polydispersity on phase…
Researchers routinely characterize optical samples by computing the scattering cross-section. However, the experimental determination of this magnitude requires the measurement and integration of the components of the scattered field in all…
We study the spontaneous crystallization of an assembly of highly monodisperse steel spheres under shaking, as it evolves from localized icosahedral ordering towards a packing reaching crystalline ordering. Towards this end, real space…
The large number of galaxies imaged by digital sky surveys reinforces the need for computational methods for analyzing galaxy morphology. While the morphology of most galaxies can be associated with a stage on the Hubble sequence,…
We use the replica method to study the ideal glass transition of a liquid of identical Hard Spheres. We obtain estimates of the configurational entropy in the liquid phase, of the Kauzmann packing fraction, in the range 0.58--0.62, and of…
An algorithm for determining crystal structures from diffraction data is described which does not rely on the usual Fourier-space formulations of atomicity. The new algorithm implements atomicity constraints in real-space, as well as…
Bifurcations of classical orbits introduce divergences into semiclassical spectra which have to be smoothed with the help of uniform approximations. We develop a technique to extract individual energy levels from semiclassical spectra…
Biological molecules are characterized by an intrinsic asymmetry known as homochirality. The result is optical activity of biological materials and circular polarization in the light scattered by microorganisms, cells of living organisms,…
A set of discrete individual points located in an embedding continuum space can be seen as percolating or non-percolating, depending on the radius of the discs/spheres associated with each of them. This problem is relevant in theoretical…
Compact packings are specific packings of spheres which can be seen as tilings and are good candidates to maximize the density. We show that the compact packings of the Euclidean space with two sizes of spheres are exactly those obtained by…
Entanglement is the key resource for quantum technologies and is at the root of exciting many-body phenomena. However, quantifying the entanglement between two parts of a real-world quantum system is challenging when it interacts with its…
In the classic circle packing problem, one asks whether a given set of circles can be packed into a given container. Packing problems like this have been shown to be $\mathsf{NP}$-hard. In this paper, we present new sufficient conditions…
Spectral clustering is one of the most prominent clustering approaches. The distance-based similarity is the most widely used method for spectral clustering. However, people have already noticed that this is not suitable for multi-scale…
Recent theories predict that when a supercooled liquid approaches the glass transition, particle clusters with a special "amorphous order" nucleate within the liquid, which lead to static correlations dictating the dramatic slowdown of…
Many large scale numerical simulations of astrophysical plasmas must also reproduce the hydrogen ionization and the resulting emission spectrum, in some cases quite accurately. We describe a compact model hydrogen atom that can be readily…