Related papers: xFitter: An Open Source QCD Analysis Framework. A …
Reliable parameter extraction from experimental data is central to quantitative analysis in spectroscopy, diffraction, photoluminescence, chromatography, microscopy, and time-resolved measurements. We present FitED, a Python-based desktop…
Classical simulations of protein flexibility remain computationally expensive, especially for large proteins. A few years ago, we developed a fast method for predicting protein structure fluctuations that uses a single protein model as the…
We introduce a Python framework designed to automate the most common tasks associated with the extraction and upscaling of the statistics of single-impact crater functions to inform coefficients of continuum equations describing surface…
We present Colibri, an open-source Python code that provides a general and flexible tool for PDF fits. The code is built so that users can implement their own PDF model, and use the built-in functionalities of Colibri for a fast computation…
Frontier Large language models (LLMs) like ChatGPT and Gemini can decipher cryptic compiler errors for novice programmers, but their computational scale, cost, and tendency to over-assist make them problematic for widespread pedagogical…
Recent $B$-physics results have sparkled great interest in the search for beyond-the-Standard-Model (BSM) physics in $b\to c\ell \bar{\nu}$ transitions. The need to analyse in a consistent manner big datasets for these searches, using…
Density-functional theory (DFT) has revolutionized computational prediction of atomic-scale properties from first principles in physics, chemistry and materials science. Continuing development of new methods is necessary for accurate…
QuTiP, the Quantum Toolbox in Python, has been at the forefront of open-source quantum software for the past 13 years. It is used as a research, teaching, and industrial tool, and has been downloaded millions of times by users around the…
In this document, we summarize the status and challenges of calculating parton physics in lattice QCD for the US Particle Physics Community Planning Exercise (a.k.a. "Snowmass"). While PDF-moments calculations have been very successful and…
The XMM-Newton spectral-fit database is an ongoing ESA funded project aimed to construct a catalogue of spectral-fitting results for all the sources within the XMM-Newton serendipitous source catalogue for which spectral data products have…
The use of experimental data to constrain the values of the Wilson coefficients of an Effective Field Theory (EFT) involves minimising a $\chi^2$ function that may contain local minima. Classical optimisation algorithms can become trapped…
The eXtended Finite Element Method (XFEM) is used to solve interface problems with an unfitted mesh. We present an implementation of the XFEM in the FEM-library deal.II. The main parts of the implementation are (i) the appropriate…
The analysis of astronomical interferometric data is often performed on the images obtained after deconvolution of the interferometer's point spread function (PSF). This strategy can be understood (especially for cases of sparse arrays) as…
In the present study the software CrackComput, based on the Xfem and Xcrack libraries has been used for three problems- to experiment on the convergence properties of the method applied to elasto-statics crack problems, comparison of stress…
The Matlab toolbox SciXMiner is designed for the visualization and analysis of time series and features with a special focus to classification problems. It was developed at the Institute of Applied Computer Science of the Karlsruhe…
NLP models are susceptible to learning spurious biases (i.e., bugs) that work on some datasets but do not properly reflect the underlying task. Explanation-based model debugging aims to resolve spurious biases by showing human users…
SciPy is an open source scientific computing library for the Python programming language. SciPy 1.0 was released in late 2017, about 16 years after the original version 0.1 release. SciPy has become a de facto standard for leveraging…
The use of several open source scientific packages in the Schr\"odinger Materials Science Suite will be discussed. A typical workflow for materials discovery will be described, discussing how open source packages have been incorporated at…
This article presents updates to lifex [Africa, SoftwareX (2022)], a C++ library for high-performance finite element simulations of multiphysics, multiscale and multidomain problems. In this release, we introduce an additional intergrid…
Distributed, large-scale quantum computing will need architectures that combine matter-based qubits with photonic links, but today's software stacks target either gate-based chips or linear-optical devices in isolation. We introduce Optyx,…