Related papers: Improving Interoperability in Scientific Computing…
Application development for distributed computing "Grids" can benefit from tools that variously hide or enable application-level management of critical aspects of the heterogeneous environment. As part of an investigation of these issues,…
MANA-2.0 is a scalable, future-proof design for transparent checkpointing of MPI-based computations. Its network transparency ("network-agnostic") feature ensures that MANA-2.0 will provide a viable, efficient mechanism for transparently…
Accurate material retrieval is critical for creating realistic 3D assets. Existing methods rely on datasets that capture shape-invariant and lighting-varied representations of materials, which are scarce and face challenges due to limited…
Scientific computing can in some sense be distilled to the execution of an application - or rather sets of applications which are combined into complex workflows. Due to the complexity and number both of scientific packages as well as…
A key issue hindering discoverability, attribution and reusability of open research software is that its existence often remains hidden within the manuscript of research papers. For these resources to become first-class bibliographic…
The recomputability and reproducibility of results from scientific software requires access to both the source code and all associated input and output data. However, the full collection of these resources often does not accompany the key…
Computer simulations are used widely across the engineering and science disciplines, including in the research and development of magnetic devices using computational micromagnetics. In this work, we identify and review different approaches…
Recent advancements in Artificial Intelligence (AI), particularly with Large Language Models (LLMs), have led to significant progress in narrow tasks such as image classification, language translation, coding, and writing. However, these…
Scripting languages such as Python and R have been widely adopted as tools for the productive development of scientific software because of the power and expressiveness of the languages and available libraries. However, deploying scripted…
Software is increasingly produced in the form of ecosystems, collections of interdependent components maintained by a distributed community. These ecosystems act as network organizations, not markets, and thus often lack actionable…
Large scale parameter estimation problems are among some of the most computationally demanding problems in numerical analysis. An academic researcher's domain-specific knowledge often precludes that of software design, which results in…
Data analytics applications combine multiple functions from different libraries and frameworks. Even when each function is optimized in isolation, the performance of the combined application can be an order of magnitude below hardware…
Nowadays interactive digital scientific environments have become an integral part of scientific computing in solving various scientific tasks in research, but also STEM education. We introduce SageMath or shortly Sage -- a free open…
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 popularity and wide spread of IoT technology has brought about a rich hardware infrastructure over which it is possible to run powerful applications that were not previously imagined. Among this infrastructure, there are the medical…
In the field of computational science and engineering, workflows often entail the application of various software, for instance, for simulation or pre- and postprocessing. Typically, these components have to be combined in arbitrarily…
MDMP is a new parallel programming approach that aims to provide users with an easy way to add parallelism to programs, optimise the message passing costs of traditional scientific simulation algorithms, and enable existing MPI-based…
We propose a series of features for the graphical user interface (GUI) of the COmputational MOdule Integrator (COMODI) \cite{Synasc05a}\cite{COMODI}. In view of the special requirements that a COMODI type of framework for scientific…
This work presents an extension to MPI supporting the one-sided communication model and window allocations in storage. Our design transparently integrates with the current MPI implementations, enabling applications to target MPI windows in…
Digital computational outputs are now ubiquitous in the research workflow and the way in which these data are stored and cataloged is becoming more standardized across fields of research. However, even with accessible data and code, the…