Related papers: pyEQUIB Python Package, an addendum to proEQUIB: I…
Since Lorenz's seminal work on a simplified weather model, the numerical analysis of nonlinear dynamical systems has become one of the main subjects of research in physics. Despite of that, there remains a need for accessible, efficient,…
Machine learning interatomic potentials (MLIPs) enable atomistic simulations with near ab initio accuracy at significantly reduced computational cost, but their broader adoption is often limited by fragmented tooling, limited scalability,…
We uniformly analyze 136 optically detected PNe and candidates from the GLIMPSE-I survey in order to to develop robust, multi-wavelength, classification criteria to augment existing diagnostics and provide pure PN samples. PNe represent…
To reduce and analyze astronomical images, astronomers can rely on a wide range of libraries providing low-level implementations of legacy algorithms. However, combining these routines into robust and functional pipelines requires a major…
The use of Python is noticeably growing among the scientific community, and Astronomy is not an exception. The power of Python consists of being an extremely versatile high-level language, easy to program that combines both traditional…
Recent developments in path integral methodology have significantly reduced the computational expense of including quantum mechanical effects in the nuclear motion in ab initio molecular dynamics simulations. However, the implementation of…
The continuum theory applied to bimolecular electrostatics leads to an implicit-solvent model governed by the Poisson-Boltzmann equation. Solvers relying on a boundary integral representation typically do not consider features like…
$\textbf{scqubits}$ is an open-source Python package for simulating and analyzing superconducting circuits. It provides convenient routines to obtain energy spectra of common superconducting qubits, such as the transmon, fluxonium, flux,…
HYPERTILING is a high-performance Python library for the generation and visualization of regular hyperbolic lattices embedded in the Poincar\'e disk model. Using highly optimized, efficient algorithms, hyperbolic tilings with millions of…
The ability to rapidly evaluate materials properties through atomistic simulation approaches is the foundation of many new artificial intelligence-based approaches to materials identification and design. This depends on the availability of…
We present a new method for inferring the metallicity (Z) and ionization parameter (q) of HII regions and star-forming galaxies using strong nebular emission lines (SEL). We use Bayesian inference to derive the joint and marginalized…
This paper describes open-source scientific contributions in python surrounding the numerical solutions to hyperbolic Hamilton-Jacobi (HJ) partial differential equations viz., their implicit representation on co-dimension one surfaces;…
Exploratory visual data analysis tools empower data analysts to efficiently and intuitively explore data insights throughout the entire analysis cycle. However, the gap between common programmatic analysis (e.g., within computational…
Emission lines in ionized nebulae can provide strong and useful constraints on the properties of both ionizing and non-ionizing stellar populations in regions with star formation, provided that stellar evolution and stellar atmosphere…
We have used a combination of stellar population synthesis and photoionization models to develop a set of ionization parameter and abundance diagnostics based only on the use of the strong optical emission lines. These models are applicable…
Automatic differentiation represents a paradigm shift in scientific programming, where evaluating both functions and their derivatives is required for most applications. By removing the need to explicitly derive expressions for gradients,…
This paper introduces pyRecLab, a software library written in C++ with Python bindings which allows to quickly train, test and develop recommender systems. Although there are several software libraries for this purpose, only a few let…
We present a new tool for the analysis of the optical emission lines of the gas in the Narrow Line Region (NLR) around Active Galactic Nuclei (AGNs). This new tool can be used in large samples of objects in a consistent way using different…
Exoplanet science often involves using the system parameters of real exoplanets for tasks such as simulations, fitting routines, and target selection for proposals. Several exoplanet catalogues are already well established but often lack a…
The Kieker observability framework is a tool that provides users with the means to design a custom observability pipeline for their application. Originally tailored for Java, supporting Python with Kieker is worthwhile. Python's popularity…