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Writing complex computer programs to study scientific problems requires careful planning and an in-depth knowledge of programming languages and tools. In this chapter the importance of using the right tool for the right problem is…

Computational Physics · Physics 2010-06-17 Helmut G. Katzgraber

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

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…

Build-time configuration and environment assumptions are hampering progress and usability in scientific software. That which would be utterly unacceptable in non-scientific software somehow passes for the norm in scientific packages. The…

Software Engineering · Computer Science 2014-07-11 Jed Brown , Matthew G. Knepley , Barry F. Smith

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

Scientific advancement relies on the ability to share and reproduce results. When data analysis or calculations are carried out using software written by scientists there are special challenges around code versions, quality and code…

Software Engineering · Computer Science 2025-07-09 S. Lee , C. Myers , A. Yang , T. Zhang , S. J. L. Billinge

Sustainable software ecosystems are difficult to build, and require concerted effort, community norms and collaborations. In science it is especially important to establish communities in which faculty, staff, students and open-source…

Software Engineering · Computer Science 2013-09-13 Marcus D. Hanwell , Amitha Perera , Wes Turner , Patrick O'Leary , Katie Osterdahl , Bill Hoffman , Will Schroeder

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

Scientific software often presents very particular requirements regarding usability, which is often completely overlooked in this setting. As computational science has emerged as its own discipline, distinct from theoretical and…

Human-Computer Interaction · Computer Science 2017-09-05 Francisco Queiroz , Raniere Silva , Jonah Miller , Sandor Brockhauser , Hans Fangohr

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

How should software engineering be adapted for Computational Science (CS)? If we understood that, then we could better support software sustainability, verifiability, reproducibility, comprehension, and usability for CS community. For…

Software Engineering · Computer Science 2020-03-13 Huy Tu , Rishabh Agrawal , Tim Menzies

Building software that can support the huge growth in data and computation required by modern research needs individuals with increasingly specialist skill sets that take time to develop and maintain. The Research Software Engineering…

Software Engineering · Computer Science 2023-01-26 J. Cohen , D. S. Katz , M. Barker , N. Chue Hong , R. Haines , C. Jay

Scientific software projects evolve rapidly in their initial development phase, yet at the end of a funding period, the completion of a research project, thesis, or publication, further engagement in the project may slow down or cease…

General Literature · Computer Science 2021-05-10 Jörg Fehr , Christian Himpe , Stephan Rave , Jens Saak

The vast majority of the long tail of scientific software, the myriads of tools that implement the many analysis and visualization methods for different scientific fields, is highly specialized, purpose-built for a research project, and has…

Software Engineering · Computer Science 2013-09-10 Daisie Huang , Hilmar Lapp

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…

Software Engineering · Computer Science 2020-10-09 Tom-Robin Teschner

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…

Software Engineering · Computer Science 2024-02-13 Martín Solari , Sira Vegas , Natalia Juristo

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…

Software Engineering · Computer Science 2019-03-15 Mario Rosado de Souza , Robert Haines , Markel Vigo , Caroline Jay

There are both technical and social issues regarding the design of sustainable scientific software. Scientists want continuously evolving systems that capture the most recent knowledge while developers and architects want sufficiently…

Software Engineering · Computer Science 2015-10-16 John D. McGregor , J. Yates Monteith

Computational methods and associated software implementations are central to every field of scientific investigation. Modern biological research, particularly within systems biology, has relied heavily on the development of software tools…

Computers and Society · Computer Science 2025-03-07 Kit Gallagher , Richard Creswell , Ben Lambert , Martin Robinson , Chon Lok Lei , Gary R. Mirams , David J. Gavaghan

There has been growing interest within the computational science and engineering (CSE) community in engaging with software engineering research -- the systematic study of software systems and their development, operation, and maintenance --…

Software Engineering · Computer Science 2022-01-12 Reed Milewicz , Miranda Mundt
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