Related papers: Statistical Distribution of Crystallographic Group…
In causal inference with observational studies, synthetic control (SC) has emerged as a prominent tool. SC has traditionally been applied to aggregate-level datasets, but more recent work has extended its use to individual-level data. As…
A new method for direct evaluation of both crystalline structure, bulk modulus B_0, and bulk-modulus pressure derivative B'_0 of solid materials with complex crystal structures is presented. The explicit and exact results presented here…
The interstellar object population of the Milky Way is a product of its stars. However, what is in fact a complex structure in the Solar neighbourhood has traditionally in ISO studies been described as smoothly distributed. Using a debiased…
Currently there is great interest in computational models consisting of underlying regular computational environments, and built on them distributed computational structures. Examples of such models are cellular automata, spatial…
A novel method for crystal structure prediction, based on metadynamics and evolutionary algorithms, is presented here. This technique can be used to produce efficiently both the ground state and metastable states easily reachable from a…
We study a family of parametric statistical models based on gamma distributions, which do give realistic descriptions for other stochastic porous media. Gamma distributions contain as a special case the exponential distributions, which…
Identifying the three-dimensional (3D) crystal-plane and strain-field distributions of nanocrystals is essential for optical, catalytic, and electronic applications. Here, we developed a methodology for visualizing the 3D information of…
For any positive integer $N$, we describe a natural complex representation of the symmetric group $\Sigma_N$ on the vector space spanned by its involutions that contains each irreducible representation exactly once.
Graph-theoretical approach is used to study cluster formation in mesocsopic systems. Appearance of these clusters are due to discrete resonances which are presented in the form of a multigraph with labeled edges. This presentation allows to…
Crystal structures are characterized by atomic bases within a primitive unit cell that repeats along a regular lattice throughout 3D space. The periodic and infinite nature of crystals poses unique challenges for geometric graph…
In many biomedical research, multiple views of data (e.g., genomics, proteomics) are available, and a particular interest might be the detection of sample subgroups characterized by specific groups of variables. Biclustering methods are…
The integrated spectro-photometric properties of star clusters are subject to large cluster-to-cluster variations. They are distributed in non trivial ways around the average properties predicted by standard population synthesis models.…
Using 17 chemical elements as a proxy for stellar DNA, we present a full phylogenetic study of stars in the solar neighbourhood. This entails applying a clustering technique that is widely used in molecular biology to construct an…
Mixture models combine multiple components into a single probability density function. They are a natural statistical model for many situations in astronomy, such as surveys containing multiple types of objects, cluster analysis in various…
Computational methods that automatically extract knowledge from data are critical for enabling data-driven materials science. A reliable identification of lattice symmetry is a crucial first step for materials characterization and…
Statistical aspects of the dynamics of chaotic scattering in the classical model of $\alpha$-cluster nuclei are studied. It is found that the dynamics governed by hyperbolic instabilities which results in an exponential decay of the…
We demonstrate a data mining approach to discover and develop new organic nonlinear optical crystals that produce intense pulses of terahertz radiation. We mine the Cambridge Structural Database for non-centrosymmetric materials and use…
We present cosmological hydrodynamical simulations of galaxy clusters aimed at studying the process of metal enrichment of the intra--cluster medium (ICM). These simulations have been performed by implementing a detailed model of chemical…
We present a geometry-independent method for determining the shapes of radial volume density profiles of astronomical objects whose geometries are unknown, based on a single column density map. Such profiles are often critical to understand…
Mathematical crystal chemistry views crystal structures as the optimal solutions of mathematical optimization problem formalizing inorganic structural chemistry. This paper introduces the minimum and maximum atomic radii depending on the…