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The prospects of quantum computing have driven efforts to realize fully functional quantum processing units (QPUs). Recent success in developing proof-of-principle QPUs has prompted the question of how to integrate these emerging processors…
Quasi-Monte Carlo (QMC) methods have developed over several decades. With the explosion in computational science, there is a need for great software that implements QMC algorithms. We summarize the QMC software that has been developed to…
Computing accurate yet efficient approximations to the solutions of the electronic Schr\"odinger equation has been a paramount challenge of computational chemistry for decades. Quantum Monte Carlo methods are a promising avenue of…
Reproducibility and comparability of empirical results are at the core tenet of the scientific method in any scientific field. To ease reproducibility of empirical studies, several benchmarks in software engineering research, such as…
Quantum computing systems depend on the principles of quantum mechanics to perform multiple challenging tasks more efficiently than their classical counterparts. In classical software engineering, the software life cycle is used to document…
Quantum Computing is a new paradigm that enables several advances which are impossible using classical technology. With the rise of quantum computers, the software is also invited to change so that it can better fit this new computation…
Quantum software plays a critical role in exploiting the full potential of quantum computing systems. As a result, it has been drawing increasing attention recently. This paper defines the term "quantum software engineering" and introduces…
Quantum Monte Carlo (QMC) methods deliver highly accurate electronic structure calculations but are computationally intensive. The quantum Monte Carlo kernel library (QMCkl) provides a modular, portable collection of high-performance…
Context: Scientific open-source software (SciOSS) plays a foundational role in research and engineering, yet its long-term sustainability has often been overlooked and remains a significant concern. Objective: This study investigates the…
Sustainability in high performance computing (HPC) is a major challenge not only for HPC centers and their users, but also for society as the climate goals become stricter. A lot of effort went into reducing the energy consumption of…
As quantum computing (QC) continues to evolve in hardware and software, measuring progress in this complex and diverse field remains a challenge. To track progress, uncover bottlenecks, and evaluate community efforts, benchmarks play a…
In this perspective I give my answer to the question of how quantum computing will impact on data-intensive applications in engineering and science. I focus on quantum Monte Carlo integration as a likely source of (relatively) near-term…
As quantum hardware advances toward fault-tolerant operation, an intermediate stage known as early fault-tolerant quantum computing (EFTQC) is emerging, where partial error correction enables meaningful computation. In this regime, the…
Cloud computing recently developed into a viable alternative to on-premises systems for executing high-performance computing (HPC) applications. With the emergence of new vendors and hardware options, there is now a growing need to…
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…
With the advance in quantum computing, quantum software becomes critical for exploring the full potential of quantum computing systems. Recently, quantum software engineering (QSE) becomes an emerging area attracting more and more…
Quantum computing (QC) is poised to revolutionize problem solving across various fields, with research suggesting that systems with over 50 qubits may achieve quantum advantage surpassing supercomputers in certain optimization tasks. As the…
COVID-19 had an unprecedented impact on scientific collaboration. The pandemic and its broad response from the scientific community has forged new relationships among domain experts, mathematical modelers, and scientific computing…
Quantum computers are moving into HPC centers, and the main challenge is now integration rather than pure hardware access. Many current software paths still depend on vendor-specific adapter chains between user SDKs, schedulers, and backend…
Scientific knowledge increasingly depends on complex computational processes where both hardware and software layers can influence research outcomes. As computational complexity grows, classical-quantum integration provides a lens for…