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Quantum simulation of chemistry and materials is predicted to be an important application for both near-term and fault-tolerant quantum devices. However, at present, developing and studying algorithms for these problems can be difficult due…

We describe a novel, interdisciplinary, computational methods course that uses Python and associated numerical and visualization libraries to enable students to implement simulations for a number of different course modules. Problems in…

The design of effective programming languages, libraries, frameworks, tools, and platforms for data engineering strongly depends on their ease and correctness of use. Anyone who ignores that it is humans who use these tools risks building…

Recently, the computational neuroscience community has pushed for more transparent and reproducible methods across the field. In the interest of unifying the domain of auditory neuroscience, naplib-python provides an intuitive and general…

We present an open-source computer program written in Python language for quantum measurement and related issues. In our program, quantum states and operators, including quantum gates, can be developed into a quantum-object function…

Over the past decades, progress in deployable autonomous flight systems has slowly stagnated. This is reflected in today's production air-crafts, where pilots only enable simple physics-based systems such as autopilot for takeoff, landing,…

The SageManifolds project aims at extending the mathematics software system Sage towards differential geometry and tensor calculus. Like Sage, SageManifolds is free, open-source and is based on the Python programming language. We discuss…

Computation, the use of a computer to solve, simulate, or visualize a physical problem, has revolutionized how physics research is done. Computation is used widely to model systems, to simulate experiments, and to analyze data. Yet, in most…

We aim to increase the flexibility at which a data worker can choose the right tool for the job, regardless of whether the tool is a code library or an interactive graphical user interface (GUI). To achieve this flexibility, we extend…

Research goals: determine the characteristics of the development process, installation, configuration and usage of the filter SageMath for learning support system Moodle. Research objectives: to prove the feasibility of using Moodle system…

Simulations are valuable tools for empirically evaluating the properties of statistical methods and are primarily employed in methodological research to draw general conclusions about methods. In addition, they can often be useful to…

The first associations to software sustainability might be the existence of a continuous integration (CI) framework; the existence of a testing framework composed of unit tests, integration tests, and end-to-end tests; and also the…

This paper presents an open-source, lightweight, yet comprehensive software framework, named RPC, which integrates physics-based simulators, planning and control libraries, debugging tools, and a user-friendly operator interface. RPC…

Empirical software engineering has received much attention in recent years and coined the shift from a more design-science-driven engineering discipline to an insight-oriented, and theory-centric one. Yet, we still face many challenges,…

MicroMagnetic.jl is an open-source Julia package for micromagnetic and atomistic simulations. Using the features of the Julia programming language, MicroMagnetic.jl supports CPU and various GPU platforms, including NVIDIA, AMD, Intel, and…

We studied scientists who attended two-day workshops on basic software skills to determine which tools and practices they found most useful. Our pre- and post-workshop surveys showed increases in self-reported familiarity, while our…

Context: Experiment replications play a central role in the scientific method. Although software engineering experimentation has matured a great deal, the number of experiment replications is still relatively small. Software engineering…

Scientific workflows automate the analysis of large-scale scientific data, fostering the reuse of data processing operators as well as the reproducibility and traceability of analysis results. In exploratory research, however, workflows are…

Navigating the diverse solution spaces of non-trivial software engineering tasks requires a combination of technical knowledge, problem-solving skills, and creativity. With multiple possible solutions available, each with its own set of…

Smarter applications are making better use of the insights gleaned from data, having an impact on every industry and research discipline. At the core of this revolution lies the tools and the methods that are driving it, from processing the…