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Tutorial applications for Verification, Validation and Uncertainty Quantification using VECMA toolkit

Suleimenova, D; Arabnejad, H; Edeling, WN; Coster, D; Luk, OO; Lakhlili, J; Jancauskas, V; ... Groen, D; + view all (2021) Tutorial applications for Verification, Validation and Uncertainty Quantification using VECMA toolkit. Journal of Computational Science , 53 , Article 101402. 10.1016/j.jocs.2021.101402. Green open access

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Abstract

The VECMA toolkit enables automated Verification, Validation and Uncertainty Quantification (VVUQ) for complex applications that can be deployed on emerging exascale platforms and provides support for software applications for any domain of interest. The toolkit has four main components including EasyVVUQ for VVUQ workflows, FabSim3 for automation and tool integration, MUSCLE3 for coupling multiscale models and QCG tools to execute application workflows on high performance computing (HPC). A more recent addition to the VECMAtk is EasySurrogate for various types of surrogate methods. In this paper, we present five tutorials from different application domains that apply these VECMAtk components to perform uncertainty quantification analysis, use surrogate models, couple multiscale models and execute sensitivity analysis on HPC. This paper aims to provide hands-on experience for practitioners aiming to test and contrast with their own applications.

Type: Article
Title: Tutorial applications for Verification, Validation and Uncertainty Quantification using VECMA toolkit
Open access status: An open access version is available from UCL Discovery
DOI: 10.1016/j.jocs.2021.101402
Publisher version: https://doi.org/10.1016/j.jocs.2021.101402
Language: English
Additional information: © 2021 The Author(s). Published by Elsevier B.V. This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/).
UCL classification: UCL
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Chemistry
URI: https://discovery.ucl.ac.uk/id/eprint/10130835
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