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Sharing scientific data, with the objective of making it fully discoverable, accessible, assessable, intelligible, usable, and interoperable, requires work at the disciplinary level to define in particular how the data should be formatted…
Computational Grids are a new trend in distributed computing systems. They allow the sharing of geographically distributed resources in an efficient way, extending the boundaries of what we perceive as distributed computing. Various…
Computer Architecture, broadly, involves optimizing hardware and software for current and future processing systems. Although there are several other top venues to publish Computer Architecture research, including ASPLOS, HPCA, and MICRO,…
To facilitate rational molecular and materials design, this research proposes an integrated computational framework that combines stochastic simulation, ab initio quantum chemistry, and molecular docking. The suggested workflow allows…
Artificial intelligence is undergoing a profound transition from a computational instrument to an autonomous originator of scientific knowledge. This emerging paradigm, the AI scientist, is architected to emulate the complete scientific…
Agile software development evolves so rapidly that research struggles to remain timely and transferable - an issue heightened by the swift adoption of generative AI and agentic tools. Earlier discussions highlight theory and time gaps,…
Society's capacity for algorithmic problem-solving has never been greater. Artificial Intelligence is now applied across more domains than ever, a consequence of powerful abstractions, abundant data, and accessible software. As capabilities…
Critical goals of scientific computing are to increase scientific rigor, reproducibility, and transparency while keeping up with ever-increasing computational demands. This work presents an integrated framework well-suited for data…
The Internet and computer commercialization have transformed the computing systems area over the past sixty years, affecting society. Computer systems have evolved to meet diverse social needs thanks to technological advances. The Internet…
The last five years have seen the rapid rise in popularity of what we term internet distributed applications (IDAs). These are internet applications with which many users interact simultaneously. IDAs range from P2P file-sharing…
In this paper we describe the architecture of a Platform as a Service (PaaS) oriented to computing and data analysis. In order to clarify the choices we made, we explain the features using practical examples, applied to several known usage…
Advances in technology and computing hardware are enabling scientists from all areas of science to produce massive amounts of data using large-scale simulations or observational facilities. In this era of data deluge, effective coordination…
Although a standard in natural science, reproducibility has been only episodically applied in experimental computer science. Scientific papers often present a large number of tables, plots and pictures that summarize the obtained results,…
Generative AI (GenAI) tools are increasingly integrated into software architecture research, yet the environmental impact of their computational usage remains largely undocumented. This study presents the first systematic audit of the…
Networks or graphs are widely used across the sciences to represent relationships of many kinds. igraph (https://igraph.org) is a general-purpose software library for graph construction, analysis, and visualisation, combining fast and…
Computer-based supervisory control and data acquisition (SCADA) systems have evolved over the past four decades, from standalone, compartmentalized operations into networked architectures that communicate across large distances. There is an…
The immense technological progress in artificial intelligence research and applications is increasingly drawing attention to the environmental sustainability of such systems, a field that has been termed Green AI. With this contribution we…
Driven by advances in generative artificial intelligence (AI) techniques and algorithms, the widespread adoption of AI-generated content (AIGC) has emerged, allowing for the generation of diverse and high-quality content. Especially, the…
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…
The rapid development of artificial intelligence (AI) has led to increasing concerns about the capability of AI systems to make decisions and behave responsibly. Responsible AI (RAI) refers to the development and use of AI systems that…