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Spectroscopy of exoplanetary atmospheres has become a well established method for the characterisation of extrasolar planets. We here present a novel inverse retrieval code for exoplanetary atmospheres. TauRex (Tau Retrieval for Exoplanets)…

Earth and Planetary Astrophysics · Physics 2015-06-22 Ingo P. Waldmann , Giovanna Tinetti , Marco Rocchetto , Emma J. Barton , Sergey N. Yurchenko , Jonathan Tennyson

There is a need for open-source libraries in emission tomography that (i) use modern and popular backend code to encourage community contributions and (ii) offer support for the multitude of reconstruction techniques available in recent…

Focused optical fields are key to a multitude of applications involving light-matter interactions, such as optical microscopy, single-molecule spectroscopy, optical tweezers, lithography, or quantum coherent control. A detailed vectorial…

Optics · Physics 2022-03-14 Fernando Caprile , Luciano A. Masullo , Fernando D. Stefani

Accurate rotational-vibrational line lists for $^{31}$P$^{14}$N and $^{31}$P$^{15}$N in their ground electronic states are computed. The line lists are produced using an empirical potential energy curve obtained by fitting to the…

Astrophysics of Galaxies · Physics 2015-04-14 Leo Yorke , Sergei N. Yurchenko , Lorenzo Lodi , Jonathan Tennyson

PyPartMC is a Pythonic interface to PartMC, a stochastic, particle-resolved aerosol model implemented in Fortran. Both PyPartMC and PartMC are free, libre, and open-source. PyPartMC reduces the number of steps and mitigates the effort…

Mathematical Software · Computer Science 2024-01-17 Zachary D'Aquino , Sylwester Arabas , Jeffrey Curtis , Akshunna Vaishnav , Nicole Riemer , Matthew West

Here, I present the community with exoTEDRF (EXOplanet Transit and Eclipse Data Reduction Framework; formerly known as supreme-SPOON), an end-to-end pipeline for data reduction and light curve analysis of time series observations (TSOs) of…

Instrumentation and Methods for Astrophysics · Physics 2024-07-26 Michael Radica

Characterizing the photolysis processes undergone by transient volatile organic compounds in the troposphere requires the knowledge of their photoabsorption cross-section - quantities often challenging to determine experimentally,…

Chemical Physics · Physics 2024-08-01 Daniel Hollas , Basile F. E. Curchod

Spectroscopic observations of exoplanet atmospheres can reveal the chemical composition, temperature, cloud properties, and (potentially) the habitability of these distant worlds. The inference of such properties is generally enabled by…

Instrumentation and Methods for Astrophysics · Physics 2024-10-25 Ryan J. MacDonald

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…

Materials Science · Physics 2026-01-19 R. J. Morelock , S. Bagchi , E. L. Briggs , W. Lu , J. Bernholc , P. Ganesh

PyTransport constitutes a straightforward code written in C++ together with Python scripts which automatically edit, compile and run the C++ code as a Python module. It has been written for Unix-like systems (OS X and Linux). Primarily the…

Cosmology and Nongalactic Astrophysics · Physics 2017-08-25 David J. Mulryne , John W. Ronayne

We present the scientific performance results of PynPoint, our Python-based software package that uses principle component analysis to detect and estimate the flux of exoplanets in two dimensional imaging data. Recent advances in adaptive…

Instrumentation and Methods for Astrophysics · Physics 2015-06-05 Adam Amara , Sascha Quanz

PyLlama is a handy Python toolkit to compute the electromagnetic reflection and transmission properties of arbitrary multilayered linear media, including the case of anisotropy. Relying on a $4 \times 4$-matrix formalism, PyLlama implements…

Optics · Physics 2021-12-24 Mélanie M. Bay , Silvia Vignolini , Kevin Vynck

Exoplanet transmission spectra, which measure the absorption of light passing through a planet's atmosphere during transit, are most often assessed globally, resulting in a single spectrum per planetary atmosphere. However, the inherent…

Earth and Planetary Astrophysics · Physics 2022-12-21 David Grant , Hannah R. Wakeford

The eXtended CASA Line Analysis Software Suite (XCLASS) is a toolbox for the Common Astronomy Software Applications package (CASA) containing new functions for modeling interferometric and single dish data. Among the tools is the myXCLASS…

Instrumentation and Methods for Astrophysics · Physics 2017-01-25 T. Möller , C. Endres , P. Schilke

A Python program for calculating the metrics necessary to perform information-theory based symmetry classifications and quantifications of transmission electron diffraction spot patterns is introduced. It is the first of its kind, in that…

Materials Science · Physics 2022-05-10 Lukas von Koch , Peter Moeck

The characterization of exoplanet requires reliable determination of the fundamental parameters of their host stars. Spectral fitting plays an important role in this process. For the majority of stellar parameters matching synthetic spectra…

Solar and Stellar Astrophysics · Physics 2023-03-29 Ansgar Wehrhahn , Nikolai Piskunov , Tanja Ryabchikova

Creating and maintaining computer readable geometries for use in Monte Carlo Radiation Transport (MCRT) simulations is an error-prone and time-consuming task. Simulating a system often requires geometry from different sources and modelling…

Computational Physics · Physics 2022-01-27 Stewart Boogert , Andrey Abramov , Laurence Nevay , William Shields , Stuart Walker

Probabilistic programming (PP) allows flexible specification of Bayesian statistical models in code. PyMC3 is a new, open-source PP framework with an intutive and readable, yet powerful, syntax that is close to the natural syntax…

Computation · Statistics 2015-07-30 John Salvatier , Thomas Wiecki , Christopher Fonnesbeck

EpiLearn is a Python toolkit developed for modeling, simulating, and analyzing epidemic data. Although there exist several packages that also deal with epidemic modeling, they are often restricted to mechanistic models or traditional…

Machine Learning · Computer Science 2024-09-10 Zewen Liu , Yunxiao Li , Mingyang Wei , Guancheng Wan , Max S. Y. Lau , Wei Jin

The PyProcar Python package plots the band structure and the Fermi surface as a function of site and/or s,p,d,f - projected wavefunctions obtained for each $k$-point in the Brillouin zone and band in an electronic structure calculation.…

Materials Science · Physics 2019-12-23 Uthpala Herath , Pedram Tavadze , Xu He , Eric Bousquet , Sobhit Singh , Francisco Muñoz , Aldo H. Romero