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Developing software to undertake complex, compute-intensive scientific processes requires a challenging combination of both specialist domain knowledge and software development skills to convert this knowledge into efficient code. As…

Distributed, Parallel, and Cluster Computing · Computer Science 2013-09-05 Jeremy Cohen , Chris Cantwell , Neil Chue Hong , David Moxey , Malcolm Illingworth , Andrew Turner , John Darlington , Spencer Sherwin

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…

Software Engineering · Computer Science 2022-03-23 T. Przedzinski

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

The development process of scientific applications is largely dependent on scientific progress and the experimental research results. Thus, dealing with frequent changes is one of the main problems faced by the developers of scientific…

Software Engineering · Computer Science 2014-05-09 Bojana Koteska , Anastas Misev

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…

Computers and Society · Computer Science 2013-09-11 Anne C. Elster

We review various changes made in recent years to the software development process of the LAMMPS simulation software package and the software itself. We discuss how those changes have impacted the effort and workflow required to develop and…

Software Engineering · Computer Science 2025-05-13 Axel Kohlmeyer , Richard Berger

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

Development of scientific and engineering software is usually different and could be more challenging than the development of conventional enterprise software. The authors were involved in a technology-transfer project between academia and…

Software Engineering · Computer Science 2020-03-03 Vahid Garousi , Ehsan Abbasi , Bedir Tekinerdogan

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…

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

Research software is essential to modern science, yet many research-performing organisations lack coherent policies to support its development, sustainability, and recognition. Despite its central role in research outcomes, research…

Software Engineering · Computer Science 2025-11-27 Michelle Barker , Jeremy Cohen , Pedro Hernández Serrano , Daniel S. Katz , Kim Martin , Dan Rudmann , Hugh Shanahan

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

Science depends heavily on reliable and easy-to-use software packages, such as mathematical libraries or data analysis tools. Developing such packages requires a lot of effort, which is too often avoided due to the lack of funding or…

Mathematical Software · Computer Science 2020-03-27 Michael Riesch , Tien Dat Nguyen , Christian Jirauschek

Context: Scientific software plays an important role in critical decision making, for example making weather predictions based on climate models, and computation of evidence for research publications. Recently, scientists have had to…

Software Engineering · Computer Science 2018-04-06 Upulee Kanewala , James M. Bieman

There is a gap in scientific information systems development concerning modern software engineering and scientific computing. Historically, software engineering methodologies have been perceived as an unwanted accidental complexity to…

Background: The development of scientific software applications is far from trivial, due to the constant increase in the necessary complexity of these applications, their increasing size, and their need for intensive maintenance and reuse.…

Software Engineering · Computer Science 2020-10-21 Elvira-Maria Arvanitou , Apostolos Ampatzoglou , Alexander Chatzigeorgiou , Jeffrey C. Carver

Modern science is relying on software more than ever. The behavior and outcomes of this software shape the scientific and public discourse on important topics like climate change, economic growth, or the spread of infections. Most…

Software Engineering · Computer Science 2025-01-09 Adrian Bajraktari , Michelle Binder , Andreas Vogelsang

Background: Research software plays an important role in solving real-life problems, empowering scientific innovations, and handling emergency situations. Therefore, the correctness and trustworthiness of research software are of absolute…

Software Engineering · Computer Science 2022-07-27 Nasir U. Eisty , Jeffrey C. Carver

The reproduction and replication of novel results has become a major issue for a number of scientific disciplines. In computer science and related computational disciplines such as systems biology, the issues closely revolve around the…

Software Engineering · Computer Science 2014-09-17 Tom Crick , Benjamin A. Hall , Samin Ishtiaq

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
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