Related papers: A pragmatic workflow for research software enginee…
Reproducibility should be a cornerstone of science as it enables validation and reuse. In recent years, the scientific community and the general public became increasingly aware of the reproducibility crisis, i.e. the wide-spread inability…
Context: Empirical Software Engineering (ESE) faces increasing challenges due to data scale, methodological complexity, and reproducibility concerns. Large Language Models (LLMs) have emerged as promising tools to support empirical…
We are research software engineers and team members in the Department of Software Engineering and Research at Sandia National Laboratories, an organization which aims to advance software engineering in the domain of computational science.…
Deep learning (DL) techniques have gained significant popularity among software engineering (SE) researchers in recent years. This is because they can often solve many SE challenges without enormous manual feature engineering effort and…
Research software plays a crucial role in advancing scientific knowledge, but ensuring its sustainability, maintainability, and long-term viability is an ongoing challenge. The Sustainable Research Software Institute (SRSI) Model has been…
So far, the relationship between open science and software engineering expertise has largely focused on the open release of software engineering research insights and reproducible artifacts, in the form of open-access papers, open data, and…
Software is at the core of most scientific discoveries today. Therefore, the quality of research results highly depends on the quality of the research software. Rigorous testing, as we know it from software engineering in the industry,…
As spatial and temporal resolutions of scientific instruments improve, the explosion in the volume of data produced is becoming a key challenge. It can be a critical bottleneck for integration between scientific instruments at the edge and…
Software engineering (SE) evolves rapidly, with changing technology and industry expectations. The curriculum review bodies (e.g., ACM and IEEE-CS working groups) respond well but can have refresh cycles measured in years. For Computer…
The rapid advancement of software development practices has introduced challenges in ensuring quality and efficiency across the software engineering (SE) lifecycle. As SE systems grow in complexity, traditional approaches often fail to…
We provide an overview of the software engineering efforts and their impact in QMCPACK, a production-level ab-initio Quantum Monte Carlo open-source code targeting high-performance computing (HPC) systems. Aspects included are: (i)…
Scientific workflows have become integral tools in broad scientific computing use cases. Science discovery is increasingly dependent on workflows to orchestrate large and complex scientific experiments that range from execution of a…
Building shared understanding of requirements is key to ensuring downstream software activities are efficient and effective. However, in continuous software engineering (CSE) some lack of shared understanding is an expected, and essential,…
Case studies are a popular and noteworthy type of research study in software engineering, offering significant potential to impact industry practices by investigating phenomena in their natural contexts. This potential to reach a broad…
The present level of development of molecular force field methods is assessed from the point of view of simulation-based engineering, outlining the immediate perspective for further development and highlighting the newly emerging discipline…
Recent studies have shown that the majority of published computational models in systems biology and physiology are not repeatable or reproducible. There are a variety of reasons for this. One of the most likely reasons is that given how…
Quality assessment of Research Software Engineering (RSE) plays an important role in all scientific fields. From the canonical three criteria (reliability, validity, and objectivity) previous research has focussed on reliability and the…
In recent years, the research community, but also the general public, has raised serious questions about the reproducibility and replicability of scientific work. Since many studies include some kind of computational work, these issues are…
Reproducibility of computational studies is a hallmark of scientific methodology. It enables researchers to build with confidence on the methods and findings of others, reuse and extend computational pipelines, and thereby drive scientific…
Crowdsourced Software Engineering (CSE) offers outsourcing work to software practitioners by leveraging a global online workforce. However, these software practitioners struggle to identify suitable tasks due to the variety of options…