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Convergent data-driven workflows for open radiation calculations: an exportable methodology to any field

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Abstract

The fast growth worldwide of linkable scientific datasets supposes significant challenges in their management and reuse. Large experiments, such as the Latin American Giant Observatory, generate volumes of data that can benefit other kinds of studies. In this sense, there is a modular ecosystem of external radiation tools that should harvest and supply datasets without being part of the main pipeline. Workflows for personal dose estimation, muongraphy in volcanology or mining, or aircraft dose calculations are built with different privacy policies and exploitation licenses. Every numerical method has its own requirements and only parts could make use of the Collaboration’s resources, which implies the convergence with other computing infrastructures. Our work focuses on developing an agnostic methodology to address these challenges while promoting open science. Leveraging the encapsulation of software in nested containers, where the inner layers accomplish specific standardization slices and calculations, the wrapper compiles metadata and data generated and publishes them. All this allows researchers to build a data-driven computer continuum that complies with the findable, accessible, interoperable, and reusable principles. The approach has been successfully tested in the computer-demanding field of radiation-matter interaction with humans, showing the orchestration with the regular pipeline for diverse applications. Moreover, it has been integrated into public or federated cloud environments as well as into local clusters and personal computers to ensure the portability and scalability of the simulations. We postulate that this successful use case can be customized to any other field.

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Data availability

As described in the text, the datasets generated and analyzed during the current study are available in B2Find repository of the LAGO Collaboration, https://b2find.eudat.eu/organization/lago. The ARTI, onedataSim, and Meiga codes are publicly available in their respective GitHub repositories: https://github.com/lagoproject/arti, https://github.com/lagoproject/onedataSim, and https://github.com/ataboadanunez/meiga.

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Acknowledgements

This work has profited from computing resources provided by CIEMAT at Madrid (Xula supercomputer) and Trujillo (Turgalium supercomputer), funded with ERDF funds. It has also been partially funded by the European Commission through their Horizon Europe Programme projects EU-LAC ResInfra Plus (no. 101131703), DECODE (no. 101091974), and RISEnergy (no. 101131793), by the Spanish CSN project NEREIDA and by the CyTED TIC network “LAGO-INDICA: INfraestructura DIgital de Ciencia Abierta” (no. 524RT0159). O.N.C. acknowledge for the financial support received from the Community of Madrid through the grant for “Personal Investigador Predoctoral en Formación” (no. PIPF-2022/TEC-24326).

Funding

This work has been partially funded by the co-funded Spanish Ministry of Science and Innovation project CODEC-OSE (RTI2018-096006-B-I00) with European Regional Development Fund (ERDF) funds. It has also been partially funded by the European Commission through their Horizon Europe Programme projects EU-LAC ResInfra Plus (no. 101131703), DECODE (no. 101091974), and RISEnergy (no. 101131793), by the Spanish CSN project NEREIDA and by the CyTED TIC network “Lago-indica: infraestructura digital de ciencia abierta”(no. 524RT0159). O.N.C. is grateful for the financial support received from the Community of Madrid through the grant for “Personal Investigador Predoctoral en Formación” (PIPF-2022/TEC-24326).

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Authors and Affiliations

  1. Departamento de Tecnología, CIEMAT, Av Complutense 40, 28040, Madrid, Madrid, Spain

    Osiris Núñez-Chongo, Hernán Asorey, Antonio Juan Rubio-Montero & Rafael Mayo-García

  2. Department of Mathematics, Universidad Carlos III de Madrid, Gregorio Millán Institute for Fluid Dynamics, Nanoscience and Industrial Mathematics, Av de la Universidad 30, 28911, Leganés, Madrid, Spain

    Osiris Núñez-Chongo & Manuel Carretero

  3. Medical Physics Department, Comisión Nacional de Energía Atómica (CNEA), Av E. Bustillo 9500, 8400, San Carlos de Bariloche, Río Negro, Argentina

    Hernán Asorey

  4. Department de Ciencias Naturales y Exactas, Universidad de la Costa, Street 58, 55–66, 080003, Barranquilla, Colombia

    Mauricio Suárez-Durán

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Núñez-Chongo, O., Asorey, H., Rubio-Montero, A.J. et al. Convergent data-driven workflows for open radiation calculations: an exportable methodology to any field. J Supercomput 81, 465 (2025). https://doi.org/10.1007/s11227-024-06894-0

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