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QC Lab is an open-source Python package for QC dynamics simulations aimed to promote the development of QC algorithms, and their application to a wide variety of relevant model problems. It follows a modular design that facilitates…
In the realm of scientific computing, both Julia and Python have established themselves as powerful tools. Within the context of High Energy Physics (HEP) data analysis, Python has been traditionally favored, yet there exists a compelling…
fgivenx is a Python package for functional posterior plotting, currently used in astronomy, but will be of use to scientists performing any Bayesian analysis which has predictive posteriors that are functions. The source code for fgivenx is…
JuMP is an open-source modeling language that allows users to express a wide range of optimization problems (linear, mixed-integer, quadratic, conic-quadratic, semidefinite, and nonlinear) in a high-level, algebraic syntax. JuMP takes…
This preprint contains a description of a package for Mathematica called EinS. This package allows one to perform various calculations with indexed objects.
This paper reports the development of a Python Non-Uniform Fast Fourier Transform (PyNUFFT) package, which accelerates non-Cartesian image reconstruction on heterogeneous platforms. Scientific computing with Python encompasses a mature and…
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…
We describe the design and implementation of GNU Guix, a purely functional package manager designed to support a complete GNU/Linux distribution. Guix supports transactional upgrades and roll-backs, unprivileged package management, per-user…
QuaRT is a Python library for quantum simulation of radiative transfer in astrophysical and cosmological problems. It features a novel angular redistribution methodology for lattice Boltzmann methods which improves the isotropy of…
We introduce JAX MD, a software package for performing differentiable physics simulations with a focus on molecular dynamics. JAX MD includes a number of physics simulation environments, as well as interaction potentials and neural networks…
Boxplots and related visualization methods are widely used exploratory tools for taking a first look at collections of univariate variables. In this note an extension is provided that is specifically designed to detect and display…
Parallelization is needed everywhere, from laptops and mobile phones to supercomputers. Among parallel programming models, task-based programming has demonstrated a powerful potential and is widely used in high-performance scientific…
We present $\texttt{cunusht}$, a general-purpose Python package that wraps a highly efficient CUDA implementation of the nonuniform spin-$0$ spherical harmonic transform. The method is applicable to arbitrary pixelization schemes, including…
The ZX-calculus is a graphical language for reasoning about ZX-diagrams, a type of tensor networks that can represent arbitrary linear maps between qubits. Using the ZX-calculus, we can intuitively reason about quantum theory, and optimise…
Almost all applications stop scaling at some point; those that don't are seldom performant when considering time to solution on anything but aspirational/unicorn resources. Recognizing these tradeoffs as well as greater user functionality…
Dynamic languages have become popular for scientific computing. They are generally considered highly productive, but lacking in performance. This paper presents Julia, a new dynamic language for technical computing, designed for performance…
We introduce ProjectQ, an open source software effort for quantum computing. The first release features a compiler framework capable of targeting various types of hardware, a high-performance simulator with emulation capabilities, and…
We present an implementation of interval analysis and mixed monotone interval reachability analysis as function transforms in Python, fully composable with the computational framework JAX. The resulting toolbox inherits several key features…
We give a brief introduction to FORM, a symbolic programming language for massive batch operations, designed by J.A.M. Vermaseren. In particular, we stress various methods to efficiently use FORM under the UNIX operating system. Several…
The absorption and emission of light by exoplanet atmospheres encode details of atmospheric composition, temperature, and dynamics. Fundamentally, simulating these processes requires detailed knowledge of the opacity of gases within an…