Related papers: On single crystal total scattering data reduction …
In this research, we present a Python-based solution designed to simulate a one-dimensional quantum system that incorporates multiple Dirac $\delta -$% potentials. The primary aim of this research is to investigate the scattering problem…
The diffraction technique is widely used in the determination of crystal structures and is one of the bases for the modern science and technology. All related structure determination methods are based on the assumption that perfect single…
In the theory of resonant scattering, the double differential cross section involves the computation of a multifold integral of a 4-point correlation function, which generalizes the traditional 2-point correlation function of Van-Hove for…
Ejection of atoms from (001) surfaces of a number of real and model single crystals is studied by molecular dynamics computer simulation. Evolution of energy distributions of sputtered atoms with polar and azimuthal angle resolution with…
Nano-CT (computerized tomography) has emerged as a non-destructive high-resolution cross-sectional imaging technique to effectively study the sub-$\mu$m pore structure of shale, which is of fundamental importance to the evaluation and…
Multi-parton distribution functions (mPDFs) are non-perturbative objects that are important in the prediction of multiple scattering rates at hadron colliders. In the case where the scales associated with all partons in the mPDF are the…
Multi-dimensional distributions of discrete data that resemble ellipsoids arise in numerous areas of science, statistics, and computational geometry. We describe a complete algebraic algorithm to determine the quadratic form specifying the…
Accurately predicting experimentally realizable 3D molecular crystal structures from their 2D chemical graphs is a long-standing open challenge in computational chemistry called crystal structure prediction (CSP). Efficiently solving this…
We present an approach for rapid conformational analysis of semi-flexible liquid crystals. We use a simple graphical user interface (GUI) tool that leverages rules-based methods for efficient generation of bend-angle distributions, offering…
A particularly challenging context for dimensionality reduction is multivariate circular data, i.e., data supported on a torus. Such kind of data appears, e.g., in the analysis of various phenomena in ecology and astronomy, as well as in…
Symmetry-adapted distortion modes provide a natural way to describe distorted structures derived from higher-symmetry parent phases. Structural refinements using symmetry-mode amplitudes as fit variables have been used for at least 10 years…
Single-file diffusion refers to the motion in narrow channels of particles which cannot bypass each other. These strong correlations between particles lead to tracer subdiffusion, which has been observed in contexts as varied as transport…
We present a precise and complete procedure for processing spectral data observed by the 1-meter New Vacuum Solar Telescope (NVST). The procedure is suitable for both the sit-and-stare and raster-scan spectra. In this work, the geometric…
Nowadays, massive datasets are typically dispersed across multiple locations, encountering dual challenges of high dimensionality and huge sample size. Therefore, it is necessary to explore sufficient dimension reduction (SDR) methods for…
Big data problems frequently require processing datasets in a streaming fashion, either because all data are available at once but collectively are larger than available memory or because the data intrinsically arrive one data point at a…
It is anticipated that hard double parton scatterings will occur frequently in the collisions of the LHC, producing interesting signals and significant backgrounds to certain single scattering processes. For double scattering processes in…
A derivation of the single particle model (SPM) is made from a porous electrode theory model (or Newman model) of half-cell (dis)charge for an electrode composed of uniformly sized spherical electrode particles of a single chemistry. The…
We present detailed elaboration and first generally applicable linearization routines of the \textit{Parameter Space Concept} (PSC) for determining 1-dimensionally projected structures of $m$ independent scatterers. This crystal…
Compton scatter tomography is an emerging technique with attractive applications in several fields in imaging such as non-destructive testing and medical scanning. In this paper, we introduce a novel modality in three dimensions with a…
3D local feature extraction and matching is the basis for solving many tasks in the area of computer vision, such as 3D registration, modeling, recognition and retrieval. However, this process commonly draws into false correspondences, due…