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Effective use of parallel and distributed computing in science depends upon multiple interdependent entities and activities that form an ecosystem. Active engagement between application users and technology catalysts is a crucial activity…
We propose an approach for improved reproducibility that includes capturing and relating provenance characteristics and performance metrics, in a hybrid queriable system, the ProvEn server. The system capabilities are illustrated on two use…
In modern cloud-based architectures, containers play a central role: they provide powerful isolation mechanisms such that developers can focus on the logic and dependencies of applications while system administrators can focus on deployment…
Environmental science is often fragmented: data is collected using mismatched formats and conventions, and models are misaligned and run in isolation. Cloud computing offers a lot of potential in the way of resolving such issues by…
The development of critical systems is becoming more and more complex. The overall tendency is that development costs raise. In order to cut cost of development, companies are forced to build systems from proven components and larger new…
Many research groups aspire to make data and code FAIR and reproducible, yet struggle because the data and code life cycles are disconnected, executable environments are often missing from published work, and technical skill requirements…
R packages are the fundamental units of reproducible code in R, providing a mechanism for distributing user-developed code, documentation, and data. Docker is a virtualization technology that allows applications and their dependencies to be…
Application containers, such as Docker containers, have recently gained popularity as a solution for agile and seamless deployment of applications. These light-weight virtualization environments run applications that are packed together…
The adoption of cloud computing is steadily increasing in designing and implementing software systems, thus it becomes imperative to consider the sustainability implications of these processes. While there has already been some academic…
Computational micromagnetics requires numerical solution of partial differential equations to resolve complex interactions in magnetic nanomaterials. The Virtual Micromagnetics project described here provides virtual machine simulation…
The reproduction and replication of reported scientific results is a hot topic within the academic community. The retraction of numerous studies from a wide range of disciplines, from climate science to bioscience, has drawn the focus of…
Modern science clearly demands for a higher level of reproducibility and collaboration. To make research fully reproducible one has to take care of several aspects: research protocol description, data access, environment preservation,…
This paper investigates the reproducibility of computational science research and identifies key challenges facing the community today. It is the result of the First Summer School on Experimental Methodology in Computational Science…
The adoption of heterogeneous computing systems based on diverse architectures to achieve exascale computing power has worsened the performance portability problem of scientific applications that were designed to run on these platforms. To…
Enterprise IT is currently facing the challenge of coordinating the management of complex, multi-component applications across heterogeneous cloud platforms. Containers and container orchestrators provide a valuable solution to deploy…
Containerization, driven by Docker, has transformed application development and deployment by enhancing efficiency and scalability. However, the rapid adoption of container technologies introduces significant security challenges that…
Many forms of programmable matter have been proposed for various tasks. We use an abstract model of self-organizing particle systems for programmable matter which could be used for a variety of applications, including smart paint and…
The escalating impacts of climate change and the increasing demand for sustainable development and natural resource management necessitate innovative technological solutions. Quantum computing (QC) has emerged as a promising tool with the…
Cloud Computing is rising fast, with its data centres growing at an unprecedented rate. However, this has come with concerns of privacy, efficiency at the expense of resilience, and environmental sustainability, because of the dependence on…
High-performance scientific applications require more and more compute power. The concurrent use of multiple distributed compute resources is vital for making scientific progress. The resulting distributed system, a so-called Jungle…