ArticlePhilosophical transactions. Series A, Mathematical, physical, and engineering sciences2021
VECMAtk: a scalable verification, validation and uncertainty quantification toolkit for scientific simulations.
Article in Philosophical transactions. Series A, Mathematical, physical, and engineering sciences, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 10 papers.
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Who cites it
10 citing papers in PubMed.
- Uncertainty Quantification forChemical reviews · 2026Review
- Decoding uncertainty for clinical decision-making.Philosophical transactions. Series A, Mathematical, physical, and engineering sciences · 2025Article
- Rapid, Accurate and Reproducible Prediction of the Glass Transition Temperature Using Ensemble-Based Molecular Dynamics Simulation.Journal of chemical theory and computation · 2025Article
- Uncertainty quantification of the impact of peripheral arterial disease on abdominal aortic aneurysms in blood flow simulations.Journal of the Royal Society, Interface · 2024Article
- Ensemble-Based Approaches Ensure Reliability and Reproducibility.Journal of chemical information and modeling · 2023Article
- Principles governing control of aggregation and dispersion of aqueous graphene oxide.Scientific reports · 2021Article
- Uncertainty quantification and sensitivity analysis of COVID-19 exit strategies in an individual-based transmission model.PLoS computational biology · 2021Article
- Ensembles Are Required to Handle Aleatoric and Parametric Uncertainty in Molecular Dynamics Simulation.Journal of chemical theory and computation · 2021Article
- Perspectives on automated composition of workflows in the life sciences.F1000Research · 2021Article
- Multiscale Computational Modeling of Vascular Adaptation: A Systems Biology Approach Using Agent-Based Models.Frontiers in bioengineering and biotechnology · 2021Review
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Authors and funding
26 authors.
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Abstract
We present the VECMA toolkit (VECMAtk), a flexible software environment for single and multiscale simulations that introduces directly applicable and reusable procedures for verification, validation (V&V), sensitivity analysis (SA) and uncertainty quantication (UQ). It enables users to verify key aspects of their applications, systematically compare and validate the simulation outputs against observational or benchmark data, and run simulations conveniently on any platform from the desktop to current multi-petascale computers. In this sequel to our paper on VECMAtk which we presented last year [1] we focus on a range of functional and performance improvements that we have introduced, cover newly introduced components, and applications examples from seven different domains such as conflict modelling and environmental sciences. We also present several implemented patterns for UQ/SA and V&V, and guide the reader through one example concerning COVID-19 modelling in detail. This article is part of the theme issue 'Reliability and reproducibility in computational science: implementing verification, validation and uncertainty quantification
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