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In open-source software (OSS), the design of usability is often influenced by the discussions among community members on platforms such as issue tracking systems (ITSs). However, digesting the rich information embedded in issue discussions…
Today's astronomical projects need computational systems capable to store and analyze large amounts of scientific data, to effectively share data with other research Institutes and to easily implement information services to present data…
Technology is becoming increasingly pervasive. At present, the system components working together to provide functionality, be they purely software or with a physical element, tend to operate within silos, bound to a particular application…
Recently, the integration of advanced simulation technologies with artificial intelligence (AI) is revolutionizing science and engineering research. ChronoLlama introduces a novel framework that customizes the open-source LLMs, specifically…
The applicability of computational models to the biological world is an active topic of debate. We argue that a useful path forward results from abandoning hard boundaries between categories and adopting an observer-dependent, pragmatic…
Scientific workflows are a cornerstone of modern scientific computing. They are used to describe complex computational applications that require efficient and robust management of large volumes of data, which are typically stored/processed…
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…
The Cactus Framework is an open-source, modular, portable programming environment for the collaborative development and deployment of scientific applications using high-performance computing. Its roots reach back to 1996 at the National…
Simulation-based traffic impact assessment studies of advanced technologies such as truck platooning need to be carried out to ascertain their benefits for traffic efficiency, safety and environment. To reduce uncertainty in the results of…
Educational simulations have long been recognized as powerful tools for enhancing learning outcomes, yet their creation has traditionally required substantial resources and technical expertise. This paper introduces MicroSims a novel…
This work proposes a hybrid framework combining classical computers with quantum annealers for structural optimisation. At each optimisation iteration of an iterative process, two minimisation problems are formulated one for the underlying…
We present the Toolbox for Analysis and Large-scale Optimization of Spacecraft (TALOS), a framework designed for applying large-scale multidisciplinary design optimization (MDO) to spacecraft design problems. The framework is built using…
In the process of rewriting large physics codes at Los Alamos National Laboratory to perform well on new architectures such as many-core, GPU, and Intel MIC, we have found a number of areas in which sustainable software practices can…
Considering the market's competitiveness and the complexity of organizations and projects, analyzing data is crucial to decision support on software development and project management processes. These practices are essential to increase…
Scientific advancement relies on the ability to share and reproduce results. When data analysis or calculations are carried out using software written by scientists there are special challenges around code versions, quality and code…
This paper presents Ellogon, a multi-lingual, cross-platform, general-purpose text engineering environment. Ellogon was designed in order to aid both researchers in natural language processing, as well as companies that produce language…
This paper discusses some generic approach for developing grid-based framework for enabling establishment of workflows comprising existing software in computational sciences areas. We highlight the main requirements addressed the developing…
System-level design methodologies have been introduced as a solution to handle the design complexity of mixed Hardware / Software systems. In this paper we describe a system-level design flow starting from Simulink specification, focusing…
Supercomputers worldwide provide the necessary infrastructure for groundbreaking research. However, most supercomputers are not designed equally due to different desired figure of merit, which is derived from the computational bounds of the…
In situ approaches can accelerate the pace of scientific discoveries by allowing scientists to perform data analysis at simulation time. Current in situ workflow systems, however, face challenges in handling the growing complexity and…