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Similar to managing software packages, managing the ontology life cycle involves multiple complex workflows such as preparing releases, continuous quality control checking, and dependency management. To manage these processes, a diverse set…

In our previous work, we demonstrated that it is feasible to perform analysis on mutation signature data without the need for downloads or installations and analyze individual patient data at scale without compromising privacy. Building on…

We present a basic high-level structures used for developing quantum programming languages. The presented structures are commonly used in many existing quantum programming languages and we use quantum pseudo-code based on QCL quantum…

Trilinos is a community-developed, open-source software framework that facilitates building large-scale, complex, multiscale, multiphysics simulation code bases for scientific and engineering problems. Since the Trilinos framework has…

There exist various Software Development Kits (SDKs) tailored to different quantum computing platforms. These are known as Quantum SDKs (QSDKs). Examples include but are not limited to Qiskit, Cirq, and PennyLane. However, this diversity…

In today's modern world, software plays a pivotal role. Software development is a highly complex and time-consuming process, demanding multidimensional efforts. Companies continually adapt their requirements to align with the evolving…

This paper explores the issues around the construction of large-scale complex systems which are built as 'systems of systems' and suggests that there are fundamental reasons, derived from the inherent complexity in these systems, why our…

Challenges related to development, deployment, and maintenance of reusable software for science are becoming a growing concern. Many scientists' research increasingly depends on the quality and availability of software upon which their…

As computer systems become more and more complex, software and tools lag more and more behind. This is especially true for scientific software that often demands high performance, and thus needs to take advantage of parallelisms, memory…

Many scientific-software projects test their codes inadequately, or not at all. Despite its well-known benefits, adopting routine testing is often not easy. Development teams may have doubts about establishing effective test procedures,…

Software testing has received much attention over the last years and has reached such critical importance that agile software development practices put software testing at its core. Agile software development is successfully applied in…

The Portable Extensible Toolkit for Scientific computation (PETSc) library delivers scalable solvers for nonlinear time-dependent differential and algebraic equations and for numerical optimization.The PETSc design for performance…

Software is now a vital scientific instrument, providing the tools for data collection and analysis across disciplines from bioinformatics and computational physics, to the humanities. The software used in research is often home-grown and…

The Portable Extensible Toolkit for Scientific Computation (PETSc) library provides scalable solvers for nonlinear time-dependent differential and algebraic equations and for numerical optimization via the Toolkit for Advanced Optimization…

We present the NVIDIA cuQuantum SDK, a state-of-the-art library of composable primitives for GPU-accelerated quantum circuit simulations. As the size of quantum devices continues to increase, making their classical simulation progressively…

High-quality research software is a cornerstone of modern scientific progress, enabling researchers to analyze complex data, simulate phenomena, and share reproducible results. However, creating such software requires adherence to best…

As scientists' needs for computational techniques and tools grow, they cease to be supportable by software developed in isolation. In many cases, these needs are being met by communities of practice, where software is developed by domain…

Scientific open-source software (OSS) has greatly benefited research communities through its transparent and collaborative nature. Given its critical role in scientific research, ensuring the sustainability of such software has become…

The use of third-party packages is becoming increasingly popular and has led to the emergence of large software package ecosystems with a maze of inter-dependencies. Since the reliance on these ecosystems enables developers to reduce…

This dissertation focuses on the development process of scientific software. It presents a methodology that has emerged over time during development of Monte Carlo tools for high energy physics experiments. A short description of the…