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Many science advances have been possible thanks to the use of research software, which has become essential to advancing virtually every Science, Technology, Engineering and Mathematics (STEM) discipline and many non-STEM disciplines…

Software Engineering · Computer Science 2019-02-26 Daniel S. Katz , Patrick Aerts , Neil P. Chue Hong , Anshu Dubey , Sandra Gesing , Henry J. Neeman , David E. Pearah

Large, complex, multi-scale, multi-physics simulation codes, running on high performance com-puting (HPC) platforms, have become essential to advancing science and engineering. These codes simulate multi-scale, multi-physics phenomena with…

Computational Engineering, Finance, and Science · Computer Science 2014-10-24 A. Dubey , S. Brandt , R. Brower , M. Giles , P. Hovland , D. Q. Lamb , F. Loffler , B. Norris , B. OShea , C. Rebbi , M. Snir , R. Thakur

A large number of computational scientific research projects make use of open source software packages. However, the development process of such tools frequently differs from conventional software development; partly because of the nature…

Software Engineering · Computer Science 2013-09-24 Ivan Girotto , Axel Kohlmeyer , David Grellscheid , Shawn T. Brown

High-performance computing (HPC) is essential for tackling complex computational problems across various domains. As the scale and complexity of HPC applications continue to grow, the need for scalable systems and software architectures…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-08-21 Risshab Srinivas Ramesh

Scientific processes rely on software as an important tool for data acquisition, analysis, and discovery. Over the years sustainable software development practices have made progress in being considered as an integral component of research.…

Software Engineering · Computer Science 2023-12-21 Akash Dhruv , Anshu Dubey

We discuss the challenges and propose research directions for using AI to revolutionize the development of high-performance computing (HPC) software. AI technologies, in particular large language models, have transformed every aspect of…

The development of scientific software is often a partnership between domain scientists and scientific software engineers. It is especially important to embrace these collaborations when developing advanced scientific software, where…

Software Engineering · Computer Science 2014-07-23 Marcus D. Hanwell , Patrick O'Leary , Bob O'Bara

To reproduce eScience, several challenges need to be solved: scientific workflows need to be automated; the involved software versions need to be provided in an unambiguous way; input data needs to be easily accessible; High-Performance…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-01-30 Kessy Abarenkov , Anne Fouilloux , Helmut Neukirchen , Abdulrahman Azab

The profile of research software engineering has been greatly enhanced by developments at institutions around the world to form groups and communities that can support effective, sustainable development of research software. We observe,…

Software Engineering · Computer Science 2019-08-07 Jeremy Cohen , Daniel S. Katz , Michelle Barker , Robert Haines , Neil Chue Hong

Progress in science is deeply bound to the effective use of high-performance computing infrastructures and to the efficient extraction of knowledge from vast amounts of data. Such data comes from different sources that follow a cycle…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-06-15 Rosa M Badia , Jorge Ejarque , Francesc Lordan , Daniele Lezzi , Javier Conejero , Javier Álvarez Cid-Fuentes , Yolanda Becerra , Anna Queralt

Scientists spend an increasing amount of time building and using software. However, most scientists are never taught how to do this efficiently. As a result, many are unaware of tools and practices that would allow them to write more…

Particle physics has an ambitious and broad global experimental programme for the coming decades. Large investments in building new facilities are already underway or under consideration. Scaling the present processing power and data…

The increasing demands for computing performance have been a reality regardless of the requirements for smaller and more energy efficient devices. Throughout the years, the strategy adopted by industry was to increase the robustness of a…

Software Engineering · Computer Science 2019-05-07 Hugo Andrade , Ivica Crnkovic

As scientific applications extend to the simulation of more and more complex systems, they involve an increasing number of abstraction levels, at each of which errors can emerge and across which they can propagate; tools for correctness…

Software Engineering · Computer Science 2011-01-18 Eloisa Bentivegna , Gabrielle Allen , Oleg Korobkin , Erik Schnetter

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 Engineering · Computer Science 2014-11-11 Paul Madden , Eduardo G. Valente

The most important way to achieve higher performance in computer systems is through heterogeneous computing, i.e., by adopting hardware platforms containing more than one type of processor, such as CPUs, GPUs, and FPGAs. Several types of…

Software Engineering · Computer Science 2020-05-19 Hugo Andrade , Ivica Crnkovic , Jan Bosch

Today's world of scientific software for High Energy Physics (HEP) is powered by x86 code, while the future will be much more reliant on accelerators like GPUs and FPGAs. The portable parallelization strategies (PPS) project of the High…

HEP data-processing software must support the disparate physics needs of many experiments. For both collider and neutrino environments, HEP experiments typically use data-processing frameworks to manage the computational complexities of…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-03-29 Christopher D. Jones , Kyle Knoepfel , Paolo Calafiura , Charles Leggett , Vakhtang Tsulaia

Scientific software is essential to scientific innovation and in many ways it is distinct from other types of software. Abandoned (or unmaintained), buggy, and hard to use software, a perception often associated with scientific software can…

Software Engineering · Computer Science 2025-06-23 Addi Malviya Thakur , Reed Milewicz , Mahmoud Jahanshahi , Lavínia Paganini , Bogdan Vasilescu , Audris Mockus
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