Advancing Digital Transformation in Material Science

The Role of Workflows Within the MaterialDigital Initiative

authored by: Simon Bekemeier, Celso Ricardo Caldeira Rêgo, Han Lin Mai, Ujjal Saikia, Osamu Waseda, Markus Apel, Felix Arendt, Alexander Aschemann, Bernd Bayerlein, Robert Courant, Gordian Dziwis, Florian Fuchs, Ulrich Giese, Kurt Junghanns, Mohamed Kamal, Lukas Koschmieder, Sebastian Leineweber, Marc Luger, Marco Lukas, Jürgen Maas, Jana Mertens, Björn Mieller, Ludger Overmeyer, Norbert Pirch, Jan Reimann, Sebastian Schröck, Philipp Schulze, Jörg Schuster, Alexander Seidel, Oleg Shchyglo, Marek Sierka, Frank Silze, Simon Stier, Marvin Tegeler, Jörg F. Unger, Matthias Weber, Tilmann Hickel, Jörg Schaarschmidt
Abstract: The MaterialDigital initiative represents a major driver toward the digitalization of material science. Next to providing a prototypical infrastructure required for building a shared data space and working on semantic interoperability of data, a core focus area of the Platform MaterialDigital (PMD) is the utilization of workflows to encapsulate data processing and simulation steps in accordance with findable, accessible, interoperable, and reusable principles. In collaboration with the funded projects of the initiative, the workflow working group strives to establish shared standards, enhancing the interoperability and reusability of scientific data processing steps. Central to this effort is the Workflow Store, a pivotal tool for disseminating workflows with the community, facilitating the exchange and replication of scientific methodologies. This article discusses the inherent challenges of adapting workflow concepts, providing the perspective on developing and using workflows in the respective domain of the various funded projects. Additionally, it introduces the Workflow Store's role within the initiative and outlines a future roadmap for the PMD workflow group, aiming to further refine and expand the role of scientific workflows as a means to advance digital transformation and foster collaborative research within material science.
Organisation(s): Institute of Transport and Automation Technology
External Organisation(s): BAM Federal Institute for Materials Research and Testing
Bielefeld University of Applied Sciences
Karlsruhe Institute of Technology (KIT)
Max Planck Institute for Sustainable Materials
Access e.V.
Friedrich Schiller University Jena
German Institute of Rubber Technology (DIK e.V.)
Technische Universität Berlin
Institute for Applied Informatics Association (InfAI)
Fraunhofer Institute for Reliability and Microintegration (IZM)
Chemnitz University of Technology (CUT)
Hamburg University of Technology (TUHH)
Deggendorf Institute of Technology
Fraunhofer Institute for Laser Technology (ILT)
Ilmenau University of Technology
Technical University of Munich (TUM)
OpenPhase Solutions GmbH
Ruhr-Universität Bochum
OSCAR PLT GmbH
Fraunhofer Institute for Silicate Research (ISC)
Fraunhofer Institute for Mechanics of Materials (IWM)
Type: Article
Journal: Advanced engineering materials
No. of pages: 29
ISSN: 1438-1656
Publication date: 13.01.2025
Publication status: E-pub ahead of print
Peer reviewed: Yes
ASJC Scopus subject areas: General Materials Science, Condensed Matter Physics
Electronic version(s): https://doi.org/10.1002/adem.202402149 (Access: Open)

BibTeX

@article{8adfb0e3657a43dabf5302f578268e79,
title = "Advancing Digital Transformation in Material Science: The Role of Workflows Within the MaterialDigital Initiative",
abstract = "The MaterialDigital initiative represents a major driver toward the digitalization of material science. Next to providing a prototypical infrastructure required for building a shared data space and working on semantic interoperability of data, a core focus area of the Platform MaterialDigital (PMD) is the utilization of workflows to encapsulate data processing and simulation steps in accordance with findable, accessible, interoperable, and reusable principles. In collaboration with the funded projects of the initiative, the workflow working group strives to establish shared standards, enhancing the interoperability and reusability of scientific data processing steps. Central to this effort is the Workflow Store, a pivotal tool for disseminating workflows with the community, facilitating the exchange and replication of scientific methodologies. This article discusses the inherent challenges of adapting workflow concepts, providing the perspective on developing and using workflows in the respective domain of the various funded projects. Additionally, it introduces the Workflow Store's role within the initiative and outlines a future roadmap for the PMD workflow group, aiming to further refine and expand the role of scientific workflows as a means to advance digital transformation and foster collaborative research within material science.",
keywords = "digitalisation, FAIR principles, MaterialDigital, scientific workflows, semantic interoperability",
author = "Simon Bekemeier and {Caldeira R{\^e}go}, {Celso Ricardo} and Mai, {Han Lin} and Ujjal Saikia and Osamu Waseda and Markus Apel and Felix Arendt and Alexander Aschemann and Bernd Bayerlein and Robert Courant and Gordian Dziwis and Florian Fuchs and Ulrich Giese and Kurt Junghanns and Mohamed Kamal and Lukas Koschmieder and Sebastian Leineweber and Marc Luger and Marco Lukas and J{\"u}rgen Maas and Jana Mertens and Bj{\"o}rn Mieller and Ludger Overmeyer and Norbert Pirch and Jan Reimann and Sebastian Schr{\"o}ck and Philipp Schulze and J{\"o}rg Schuster and Alexander Seidel and Oleg Shchyglo and Marek Sierka and Frank Silze and Simon Stier and Marvin Tegeler and Unger, {J{\"o}rg F.} and Matthias Weber and Tilmann Hickel and J{\"o}rg Schaarschmidt",
note = "Publisher Copyright: {\textcopyright} 2025 The Author(s). Advanced Engineering Materials published by Wiley-VCH GmbH.",
year = "2025",
month = jan,
day = "13",
doi = "10.1002/adem.202402149",
language = "English",
journal = "Advanced engineering materials",
issn = "1438-1656",
publisher = "Wiley-VCH Verlag",
}