Related papers: PCrystalX -- Web Application
The most widely used method for obtaining high-quality two-dimensional materials is through mechanical exfoliation of bulk crystals. Manual identification of suitable flakes from the resulting random distribution of crystal thicknesses and…
X-ray diffractometers primarily designed for surface x-ray diffraction are often used to measure the diffraction from powders, textured materials, and fiber-texture samples in so-called $2\theta$ scans. Unlike high-energy powder diffraction…
We have developed a web tool to perform Principal Component Analysis (PCA, Murtagh & Heck 1987; Kendall 1980) onto spectral data. The method is especially designed to perform spectral classification of galaxies from a sample of input…
We propose efficient algorithms based on a band-limited version of 2D synchrosqueezed transforms to extract mesoscopic and microscopic information from atomic crystal images. The methods analyze atomic crystal images as an assemblage of…
"Particle methods" are sequential Monte Carlo algorithms, typically involving importance sampling, that are used to estimate and sample from joint and marginal densities from a collection of a, presumably increasing, number of random…
In this study, we report initial demonstrations of the use of single crystals in indirect x-ray imaging with a benchtop implementation of propagation-based (PB) x-ray phase contrast imaging. Based on single Gaussian peak fits to the x-ray…
Established x-ray diffraction methods allow for high-resolution structure determination of crystals, crystallized protein structures or even single molecules. While these techniques rely on coherent scattering, incoherent processes like…
A computer algorithm to search symmetries of crystal structures as implemented in the \texttt{spglib} code is described. An iterative algorithm is employed to robustly identify space group types tolerating a certain amount of distortion in…
Conventional X-ray methods use incoming plane waves and result in discrete diffraction patterns when scattered at crystals. Here we find, by a systematic method, incoming waveforms which exhibit discrete diffraction patterns when scattered…
Machine learning (ML) has seen promising developments in materials science, yet its efficacy largely depends on detailed crystal structural data, which are often complex and hard to obtain, limiting their applicability in real-world…
IT professionals have no simple tool to create phishing websites and raise the awareness of users. We developed a prototype that can dynamically mimic websites by using enriched screenshots, which requires no additional programming…
Variability Search Toolkit (VaST) is a software package designed to find variable objects in a series of sky images. It can be run from a script or interactively using its graphical interface. VaST relies on source list matching as opposed…
Polarimetry is widely considered a powerful observational technique in X-ray astronomy, useful to enhance our understanding of the emission mechanisms, geometry and magnetic field arrangement of many compact objects. However, the lack of…
We present here a real-time analysis of diffraction images acquired at high frame-rate (925 Hz) and its application to macromolecular serial crystallography. The software uses a new signal separation algorithm, able to distinguish the…
Fast and accurate crystal structure prediction (CSP) algorithms and web servers are highly desirable for exploring and discovering new materials out of the infinite design space. However, currently, the computationally expensive first…
World Wide Web is a huge repository of information and there is a tremendous increase in the volume of information daily. The number of users are also increasing day by day. To reduce users browsing time lot of research is taken place. Web…
The relation between the properties of a specific crystallographic site and the properties of the full crystal is discussed by using spherical tensors. The concept of spherical tensors is introduced and the way it transforms under the…
In order to bridge the gap between Deep Learning researchers and medical professionals we develop a very accessible free prototype system which can be used by medical professionals to understand the reality of Deep Learning tools for chest…
The paper demonstrates the design and execution of a low-cost optical spectrometer that employs a webcam, diffraction grating & Python (a free, open-source programming language). The device's design prioritized economy and usability, with a…
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…