Related papers: User-friendly Composition of FAIR Workflows in a N…
Science and technology journalists today face challenges in finding newsworthy leads due to increased workloads, reduced resources, and expanding scientific publishing ecosystems. Given this context, we explore computational methods to aid…
The prosperity and lifestyle of our society are very much governed by achievements in condensed matter physics, chemistry and materials science, because new products for sectors such as energy, the environment, health, mobility and…
Workflows are critical for scientific discovery. However, the sophistication, heterogeneity, and scale of workflows make building, testing, and optimizing them increasingly challenging. Furthermore, their complexity and heterogeneity make…
Active learning (AL) is a powerful sequential optimization approach that has shown great promise in the discovery of new materials. However, a major challenge remains the acquisition of the initial data and the development of workflows to…
The rapid growth of AI in robotics has amplified the need for high-quality, reusable datasets, particularly in human-robot interaction (HRI) and AI-embedded robotics. While more robotics datasets are being created, the landscape of open…
The quality of scientific code is a critical concern for the research community. Poorly written code can result in irreproducible results, incorrect findings, and slower scientific progress. In this study, we evaluate scientific code…
In the ever-changing realm of research software development, it is crucial for the scientific community to grasp current trends to identify gaps that can potentially hinder scientific progress. The adherence to the FAIR (Findable,…
Computational notebooks are widely used for data analysis. Their interleaved displays of code and execution results (e.g., visualizations) are welcomed since they enable iterative analysis and preserve the exploration process. However, the…
Academic trade requires juggling multiple variants of the same content published in different formats: manuscripts, presentations, posters and computational notebooks. The need to track versions to accommodate for the…
Virtual e-Science infrastructures supporting Web-based scientific workflows are an example for knowledge-intensive collaborative and weakly-structured processes where the interaction with the human scientists during process execution plays…
As access to the internet has become increasingly ubiquitous, along with the reliability and speed of internet providers, so too has the implementation of internet-based learning tools. These tools provide students opportunities to do…
"Computational experiments" use code and interactive visualizations to convey mathematical and physical concepts in an intuitive way, and are increasingly used to support ex cathedra lecturing in scientific and engineering disciplines.…
Computational physics increasingly depends on large simulation datasets generated by software that remains under active development for many years. In such settings, reproducibility requires not only well documented data but also explicit…
This article proposes a novel methodological approach for developing use cases for CH e-infrastuctures documented using Jupyter Notebooks (JNs), enabling transparency and reproducibility. We also address the present problem of use cases…
Notebooks provide an interactive environment for programmers to develop code, analyse data and inject interleaved visualizations in a single environment. Despite their flexibility, a major pitfall that data scientists encounter is…
The availability of open data and of tools to create visualizations on top of these open datasets have led to an ever-growing amount of geovisualizations on the Web. There is thus an increasing need for techniques to make geovisualizations…
There is a growing acknowledgement in the scientific community of the importance of making experimental data machine findable, accessible, interoperable, and reusable (FAIR). Recognizing that high quality metadata are essential to make…
The reuse of research software is central to research efficiency and academic exchange. The application of software enables researchers with varied backgrounds to reproduce, validate, and expand upon study findings. Furthermore, the…
The landscape of workflow systems for scientific applications is notoriously convoluted with hundreds of seemingly equivalent workflow systems, many isolated research claims, and a steep learning curve. To address some of these challenges…
This letter illustrates the opinion of the molecular dynamics (MD) community on the need to adopt a new FAIR paradigm for the use of molecular simulations. It highlights the necessity of a collaborative effort to create, establish, and…