Streamlining Multi-scale Materials Modeling: The MUSICODE Low-Code Approach for Simulation Workflows and Executable MODAs

Abstract MOdeling DAta (MODA) is a template for the standardized description of materials models. It is meant to guide users toward a complete high-level documentation of modeling workflows, starting from the end-user case down to the computational details. While a MODA workflow outlines the sequence of models and data interactions, it is not executable by itself and requires implementation. Traditionally, this involves custom coding to link together solvers and data sources or using an integration framework like the Multi-Physics Integration Framework (MuPIF). Both options demand software development expertise. To simplify this process, the MUSICODE H2020 project introduced in its Open Innovation Platform a low-code approach that enables easier transformation of MODA workflows into executable multi-scale workflows. This bridges the space between MODA workflow definition and its executable encoding, merging them into a single entity while ensuring FAIR compliance. In this paper, we illustrate the implementation of this approach based on the Business Process Model and Notation (BPMN) standard, demonstrating how MODA workflows can be converted into executable workflows through examples and a real-world use case.