Related papers: Essential Scattering Applications for Everyone. Ov…
The main purpose of scattering experiments is to unveil the underlying structure of the colliding particles and their interaction. Typically one measures scattering observables (cross sections and polarizations) at discrete angles and…
This document is one of the deliverable reports created for the ESCAPE project. ESCAPE stands for Energy-efficient Scalable Algorithms for Weather Prediction at Exascale. The project develops world-class, extreme-scale computing…
The high performance requirements at the European Spallation Source have been driving the technological advances on the neutron detector front. Now more than ever is it important to optimize the design of detectors and instruments, to fully…
ArchNEMESIS is an open-source Python package developed for the analysis of remote sensing spectroscopic observations of planetary atmospheres. It is based on the widely used NEMESIS radiative transfer and retrieval tool, which has been…
Shape completion, a crucial task in 3D computer vision, involves predicting and filling the missing regions of scanned or partially observed objects. Current methods expect known pose or canonical coordinates and do not perform well under…
We present general algorithms to convert scattering data of linear and area detectors recorded in various scattering geometries to reciprocal space coordinates. The presented algorithms work for any goniometer configuration including…
The analysis of experimental results with Python often requires writing many code scripts which all need access to the same set of functions. In a common field of research, this set will be nearly the same for many users. The qspec Python…
Small-angle scattering (SAS) techniques, which utilize neutrons and X-rays, are employed in various scientific fields, including materials science, biochemistry, and polymer physics. During the analysis of SAS data, model parameters that…
Light scattering by spherical-shaped particles of sizes comparable to the wavelength is foundational in many areas of science, from chemistry to atmospheric science, photonics and nanotechnology. With the new capabilities offered by machine…
The freud Python package is a powerful library for analyzing simulation data. Written with modern simulation and data analysis workflows in mind, freud provides a Python interface to fast, parallelized C++ routines that run efficiently on…
ScopeSim is a flexible multipurpose instrument data simulation framework built in Python. It enables both raw and reduced observation data to be simulated for a wide range of telescopes and instruments quickly and efficiently on a personal…
Numerical simulations of Einstein's field equations provide unique insights into the physics of compact objects moving at relativistic speeds, and which are driven by strong gravitational interactions. Numerical relativity has played a key…
Yade is an extensible open-source framework for discrete numerical models, focused on the Discrete Element Method. The computation parts are written in c++ using a flexible object model and allowing independent implementation of new…
The upcoming Ristretto spectrograph is dedicated to the detection and analysis of exoplanetary atmospheres, with a primary focus on the temperate rocky world Proxima b. This scientific endeavor relies on the interplay of a high-contrast…
Benchmarks are essential in the design of modern HPC installations, as they define key aspects of system components. Beyond synthetic workloads, it is crucial to include real applications that represent user requirements into benchmark…
Iris is an extensible application that provides astronomers with a user-friendly interface capable of ingesting broad-band data from many different sources in order to build, explore, and model spectral energy distributions (SEDs). Iris…
Most particle induced X-ray emission (PIXE) data analysis codes are not focused on handling multilayered samples. We have developed an open-source library called "LibCPIXE", for PIXE data analysis. It is written in standard C and implements…
Transmission spectroscopy is among the most fruitful techniques to infer the main opacity sources present in the upper atmosphere of a transiting planet and to constrain the composition of the thermosphere and of the unbound exosphere. Not…
The NCrystal library provides a range of models for simulation of both elastic and inelastic scattering of thermal neutrons in a range of material structures. This article presents the available models for elastic scattering, and includes…
pyscreener is a Python library that seeks to alleviate the challenges of large-scale structure-based design using computational docking. It provides a simple and uniform interface that is agnostic to the backend docking engine with which to…