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Cosmological simulations are the key tool for investigating the different processes involved in the formation of the universe from small initial density perturbations to galaxies and clusters of galaxies observed today. The identification…
We present MXtalTools, a flexible Python package for the data-driven modelling of molecular crystals, facilitating machine learning studies of the molecular solid state. MXtalTools comprises several classes of utilities: (1) synthesis,…
Here we introduce the RobERt (Robotic Exoplanet Recognition) algorithm for the classification of exoplanetary emission spectra. Spectral retrievals of exoplanetary atmospheres frequently requires the preselection of molecular/atomic…
cTreeBalls (cBalls for short) is a Python/C package useful to measure (2,3)-point clustering statistics. cBalls can efficiently calculate 3-point correlations of more than 200 million HEALPix pixels ( a full sky simulation with Nside =…
The prospects for finding transiting exoplanets in the range of a few to 20 Earth masses is growing rapidly with both ground-based and spaced-based efforts. We describe a publicly available computer code to compute and quantify the…
Spectral retrieval techniques are currently our best tool to interpret the observed exoplanet atmospheric data. Said techniques retrieve the optimal atmospheric components and parameters by identifying the best fit to an observed…
Charge exchange (CX) is a semi-resonant recombination process that can lead to spectral line emission in the X-ray band. It occurs in nearly any environment where hot plasma and cold gas interact: in the solar system, in comets and…
Scanning tunneling and atomic force microscopies (STM/nc-AFM) are rapidly progressing to offer unprecedented spatial resolution of a diverse array of chemical species. In particular, they are employed to characterize on-surface chemical…
In today's modern wide-field galaxy surveys, there is the necessity for parametric surface brightness decomposition codes characterised by accuracy, small degree of user intervention, and high degree of parallelisation. We try to address…
Recent advances in computational materials science present novel opportunities for structure discovery and optimization, including uncovering of unsuspected compounds and metastable structures, electronic structure, surface, and…
Escaping exoplanet atmospheres have been observed as deep transit signatures in a few specific spectral lines. Detections have been made in the hydrogen Ly-$\alpha$ line, the metastable helium line at 10830 {\AA} and some UV lines of…
We introduce NebulOS, a Big Data platform that allows a cluster of Linux machines to be treated as a single computer. With NebulOS, the process of writing a massively parallel program for a datacenter is no more complicated than writing a…
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…
$Aims.$ We present a database of 43,340 atmospheric models ($\sim$80,000 models at the conclusion of the project) for stars with stellar masses between 9 and 120 $M_{\odot}$, covering the region of the OB main-sequence and Wolf-Rayet (W-R)…
Comparison of echelle spectra to synthetic models has become a computational statistics challenge, with over ten thousand individual spectral lines affecting a typical cool star echelle spectrum. Telluric artifacts, imperfect line lists,…
Interstellar grains may be composite collections of particles of distinct materials, including voids, agglomerated together. We determine the various optical cross sections of such composite grains, given the optical properties of each…
Triumvirate is a Python/C++ package for measuring the three-point clustering statistics in large-scale structure (LSS) cosmological analyses. Given a catalogue of discrete particles (such as galaxies) with their spatial coordinates, it…
We present a python package "ScalPy" for studying the late time scalar field cosmology for a wide variety of scalar field models, namely the quintessence, tachyon and Galileon model. The package solves the autonomous system of equations for…
Transmission spectroscopy can be used to constrain the properties of exoplanetary atmospheres. During a transit, the light blocked from the atmosphere of the planet leaves an imprint in the light coming from the star. This has been shown…
Considering the relatively high precision that will be reached by future observatories, it has recently become clear that one dimensional (1D) atmospheric models, in which the atmospheric temperature and composition of a planet are…