Related papers: GRAPPA: Grid Access Portal for Physics Application…
Although the pure component vapor pressure is one of the most important properties for designing chemical processes, no broadly applicable, sufficiently accurate, and open-source prediction method has been available. To overcome this, we…
The Gaudi/Athena and Grid Alliance (GANGA) is a front-end for the configuration, submission, monitoring, bookkeeping, output collection, and reporting of computing jobs run on a local batch system or on the grid. In particular, GANGA…
The modeling of physical processes is an integral part of scientific and technical research. In this area, the Extendible C++ Application in Quantum Technologies (ECAQT) package provides the numerical simulations and modeling of complex…
In this paper, we present the computational task-management tool Ganga, which allows for the specification, submission, bookkeeping and post-processing of computational tasks on a wide set of distributed resources. Ganga has been developed…
Grid computing is a distributed computing paradigm which aims to aggregate several heterogeneous and distributed resources, belonging to different and independent organizations, in a dynamic, transparent and coordinated way. Since its…
Simulating large molecular systems over long timescales requires force fields that are both accurate and efficient. In recent years, E(3) equivariant neural networks have lifted the tension between computational efficiency and accuracy of…
The notion of grid computing has gained an increasing popularity recently as a realistic solution to many of our large-scale data storage and processing needs. It enables the sharing, selection and aggregation of resources geographically…
The Athena Startup Kit (ASK), is an interactive front-end to the Atlas software framework (ATHENA). Written in python, a very effective "glue" language, it is build on top of the, in principle unrelated, code repository, build,…
In this paper we introduce a new way to deal with Grid portals referring to our implementation. L-GRID is a light portal to access the EGEE/EGI Grid infrastructure via Web, allowing users to submit their jobs from a common Web browser in a…
We introduce GrapAL (Graph database of Academic Literature), a versatile tool for exploring and investigating a knowledge base of scientific literature, that was semi-automatically constructed using NLP methods. GrapAL satisfies a variety…
We have developed an extended framework, named GR@PPA, of the GRACE system for hadron collisions. The GRACE system is an automatic Feynman diagram calculation system and an event generator based on this diagram calculation. While the…
Grid computing has emerged as an effective means of facilitating the sharing of distributed heterogeneous resources, enabling collaboration in large scale environments. However, the nature of Grid systems, coupled with the overabundance and…
The Grid technologies are in ongoing development. Using current Grid toolkits like the Globus toolkit gives one the possibility to build up virtual organizations. Although these tookits are in still under development and do not feature all…
The current generation of Grid infrastructures designed for production activity is strongly computing oriented and tuned on the needs of applications that requires intensive computations. Problems arise when trying to use such Grids to…
The transition to renewable energy sources for data centers has become a popular trend in the IT industry. However, the volatility of renewable energy, such as solar and wind power, impedes the operation of green data centers. In this work,…
Grid applications are, by their nature, wide-area distributed applications. This WAN aspect of Grid applications makes the use of conventional monitoring and instrumentation tools (such as top, gprof, LSF Monitor, etc) impractical for…
Filtergraph is a web application being developed by the Vanderbilt Initiative in Data-intensive Astrophysics (VIDA) to flexibly handle a large variety of astronomy datasets. While current datasets at Vanderbilt are being used to search for…
In scientific computing, more computational power generally implies faster and possibly more detailed results. The goal of this study was to develop a framework to submit computational jobs to powerful workstations underused by nonintensive…
The Visual Physics Analysis (VISPA) project defines a toolbox for accessing software via the web. It is based on latest web technologies and provides a powerful extension mechanism that enables to interface a wide range of applications.…
Domain scientists increasingly develop Python scripts to analyze satellite imagery but they lack scalability to large-scale data. This paper demonstrates GRAIL, an agentic translation system that converts Python geospatial workflows into…