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The study of complex many-body systems via analysis of the trajectories of the units that dynamically move and interact within them is a non-trivial task. The workflow for extracting meaningful information from the raw trajectory data is…
Zernike polynomials serve as an orthogonal basis on the unit disc, and have proven to be effective in optics simulations, astrophysics, and more recently in plasma simulations. Unlike Bessel functions, Zernike polynomials are inherently…
The high-performance computing resources and the constant improvement of both numerical simulation accuracy and the experimental measurements with which they are confronted, bring a new compulsory step to strengthen the credence given to…
Computational notebooks offer researchers, practitioners, students, and educators the ability to interactively conduct analytics and disseminate reproducible workflows that weave together code, visuals, and narratives. This article explores…
A Unitychain is a novel blockchain-like structure that drastically improves transaction scalability and security while maintaining ongoing network performance, even if participating nodes are required to perform a new Distributed Key…
Quantum gates are the fundamental instructions of digital quantum computers. Current programming languages, systems, and software development toolkits identify these operational gates by their titles, which requires a shared understanding…
Extreme-scale computational science increasingly demands multiscale and multiphysics formulations. Combining software developed by independent groups is imperative: no single team has resources for all predictive science and decision…
A computer program is a set of electronic instructions executed from within the computer memory by the computer central processing unit. Its purpose is to control the functionalities of the computer allowing it to perform various tasks.…
We present PEPSKit.jl, a Julia package for simulating two-dimensional quantum many-body systems with infinite projected entangled-pair states (iPEPS). PEPSKit.jl builds on the TensorKit.jl package for tensor computations and provides…
ZX-calculus is graphical language for quantum computing which usually focuses on qubits. In this paper, we generalise qubit ZX-calculus to qudit ZX-calculus in any finite dimension by introducing suitable generators, especially a carefully…
Replicability in machine learning (ML) research is increasingly concerning due to the utilization of complex non-deterministic algorithms and the dependence on numerous hyper-parameter choices, such as model architecture and training…
Science depends heavily on reliable and easy-to-use software packages, such as mathematical libraries or data analysis tools. Developing such packages requires a lot of effort, which is too often avoided due to the lack of funding or…
CVXPY is a domain-specific language for convex optimization embedded in Python. It allows the user to express convex optimization problems in a natural syntax that follows the math, rather than in the restrictive standard form required by…
Scientific advancement relies on the ability to share and reproduce results. When data analysis or calculations are carried out using software written by scientists there are special challenges around code versions, quality and code…
Package-X, a Mathematica package for the analytic computation of one-loop integrals dimensionally regulated near 4 spacetime dimensions is described. Package-X computes arbitrarily high rank tensor integrals with up to three propagators,…
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…
Uncertainty quantification (UQ) provides a resource-efficient solution for on-device monitoring of tinyML models deployed without access to true labels. However, existing UQ methods impose significant memory and compute demands, making them…
The SunPy Project is a community of scientists and software developers creating an ecosystem of Python packages for solar physics. The project includes the sunpy core package as well as a set of affiliated packages. The sunpy core package…
This article introduces Unsub Extender, a free tool to help libraries analyze their Unsub data export files. Unsub is a collection development dashboard that gathers and forecasts journal-level usage metrics to provide academic libraries…
We introduce QCLAB, an object-oriented MATLAB toolbox for constructing, representing, and simulating quantum circuits. Designed with an emphasis on numerical stability, efficiency, and performance, QCLAB provides a reliable platform for…