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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…
This article introduces software called Phonon Explorer that implements a data mining workflow for large datasets of the neutron scattering function, S(Q, {\omega}), measured on time-of-flight neutron spectrometers. This systematic approach…
The new generation of multi-PetaWatt laser facilities will allow tests of Strong Field QED, as well as provide an opportunity for novel photon and lepton sources. The first experiments are planned to study the (nearly) head-on scattering of…
RESPACK is a first-principles calculation software for evaluating the interaction parameters of materials and is able to calculate maximally localized Wannier functions, response functions based on the random phase approximation and related…
Cyanure is an open-source C++ software package with a Python interface. The goal of Cyanure is to provide state-of-the-art solvers for learning linear models, based on stochastic variance-reduced stochastic optimization with acceleration…
The Kassiopeia particle tracking framework is an object-oriented software package using modern C++ techniques, written originally to meet the needs of the KATRIN collaboration. Kassiopeia features a new algorithmic paradigm for particle…
Category-Agnostic Pose Estimation (CAPE) aims to localize keypoints on an object of any category given few exemplars in an in-context manner. Prior arts involve sophisticated designs, e.g., sundry modules for similarity calculation and a…
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…
Small-angle X-ray or neutron scattering (SAXS/SANS/SAS) is widely used to obtain structural information on biomolecules or soft-matter complexes in solution. Deriving a molecular interpretation of the scattering signals requires methods for…
In this paper we introduce DISROPT, a Python package for distributed optimization over networks. We focus on cooperative set-ups in which an optimization problem must be solved by peer-to-peer processors (without central coordinators) that…
Managing issue reports is essential for the evolution and maintenance of software systems. However, manual issue management tasks such as triaging, prioritizing, localizing, and resolving issues are highly resource-intensive for projects…
This is a companion Focus Demonstration article to the PyMUSE python package, demonstrating its usage and utilities for VLT/MUSE data analysis, that include a wide range of options for spectra extractions, the creation of different types of…
Context. The Spectroscopy Made Easy (SME) package has become a popular tool for analyzing stellar spectra, often in connection with large surveys or exoplanet research. SME has evolved significantly since it was first described in 1996, but…
JUNO is a multipurpose neutrino experiment which is designed to determine neutrino mass hierarchy and precisely measure oscillation parameters. As one of the important systems, the JUNO offline software is being developed using the SNiPER…
We find ourselves on the brink of an exciting era in observational astrophysics, driven by groundbreaking facilities like JWST, Euclid, Rubin, Roman, SKA, or ELT. Simultaneously, computational astrophysics has shown significant strides,…
Robust estimation provides essential tools for analyzing data that contain outliers, ensuring that statistical models remain reliable even in the presence of some anomalous data. While robust methods have long been available in R, users of…
Electromagnetic computations, where the wavelength is small in relation to the geometry of interest, become computationally demanding. In order to manage computations for realistic problems like electromagnetic scattering from aircraft, the…
Traditional ultrasound simulation methods solve wave equations numerically, achieving high accuracy but at substantial computational cost. Faster alternatives based on convolution with precomputed impulse responses remain relatively slow,…
Inelastic neutron and X-ray scattering experiments on surfaces and interfaces are a challenging topic in modern physics. Particular interest arises regarding surfaces and interfaces of soft matter and biological systems. We review both…
The SPectrogram Analysis and Cataloguing Environment (SPACE) tool is an interactive python tool designed to label radio emission features of interest in a time-frequency map (called 'dynamic spectrum'). The program uses Matplotlib's Polygon…