Related papers: pyROX: Rapid Opacity X-sections
ruptures is a Python library for offline change point detection. This package provides methods for the analysis and segmentation of non-stationary signals. Implemented algorithms include exact and approximate detection for various…
Numerical modeling of fermionic many-body quantum systems presents similar challenges across various research domains, necessitating universal tools, including state-of-the-art machine learning techniques. Here, we introduce SOLAX, a Python…
We present new deep near-infrared images of dark clouds in the Perseus molecular complex. These images show beautiful extended emission which we model as scattered ambient starlight and name ``cloudshine''. The brightness and color…
First-principles computational spectroscopy is a critical tool for interpreting experiment, performing structure refinement, and developing new physical understanding. Systematically setting up input files for different simulation codes and…
Exascale computing delivers the raw power to simulate ever larger and more chemically realistic systems, but realizing this potential requires codes that can efficiently use thousands of processors. Our real-space multigrid (RMG) density…
In this thesis we investigate high throughput computational methods for processing large quantities of data collected from synchrotrons and their application to spectral analysis of powder diffraction data. We also present the main product…
I present a fast Python tool, SpectRes, for carrying out the resampling of spectral flux densities and their associated uncertainties onto different wavelength grids. The function works with any grid of wavelength values, including…
TauREx 3 is the next generation of the TauREx exoplanet atmospheric retrieval framework for Windows, Mac, and Linux. It is a complete rewrite with a full Python stack that makes it easy-to-use, high-performance, dynamic, and flexible. The…
Cloud computing offers an opportunity to run compute-resource intensive climate models at scale by parallelising model runs such that datasets useful to the exoplanet community can be produced efficiently. To better understand the…
PCrystalX-Web is a web application developed to be easy and fast to use. The purpose of the software is that researchers from any area are able to use two methods to analyze an X-ray diffraction pattern more straightforwardly. With the full…
partycls is a Python framework for cluster analysis of systems of interacting particles. By grouping particles that share similar structural or dynamical properties, partycls enables rapid and unsupervised exploration of the system's…
Density Functional Theory (DFT) is the de facto workhorse for large-scale electronic structure calculations in chemistry and materials science. While plane-wave DFT implementations remain the most widely used, real-space DFT provides…
PyEOC is an open-source Python code for determining electro-optic (EO) coefficients of thin-film materials from the static and dynamic reflectivity measurements. It uses the experimental results, the transfer-matrix method and implements a…
I present a Python package developed for fitting Voigt profiles to absorption lines. The software fits multiple components for various atomic lines simultaneously allowing parameters to be tied and fixed. Moreover, the code is able to…
Ordinary Differential Equations (ODE) are used throughout science where the capture of rates of change in states is sought. While both pieces of commercial and open software exist to study such systems, their efficient and accurate usage…
With the application of advanced astronomical technologies, equipments and methods all over the world, astronomy covers from radio, infrared, visible light, ultraviolet, X-ray and gamma ray band, and enters into the era of full wavelength…
In the era of large time-domain spectro-photometric surveys, surface variations such as starspots, chemical inhomogeneities, pulsations, rotational distortions, and binary interactions can now be directly detected and modelled. Accurately…
The physical characteristics and atmospheric chemical composition of newly discovered exoplanets are often inferred from their transit spectra which are obtained from complex numerical models of radiative transfer. Alternatively, simple…
Dark matter halos are fundamental structures in cosmology, forming the gravitational potential wells hosting galaxies and clusters of galaxies. Their properties and statistical distribution (including the halo mass function) are invaluable…
We present BROOM, a new python package for the application of blind, minimum-variance component-separation techniques to microwave observations. The package enables the reconstruction of signals with known spectral energy distributions,…