Advancing Digital Transformation in Material Science: The Role of Workflows Within the MaterialDigital Initiative

Research output: Contribution to journalArticleResearchpeer review

Authors

  • 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

External Research Organisations

  • 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)
View graph of relations

Details

Original languageEnglish
Number of pages29
JournalAdvanced engineering materials
Early online date13 Jan 2025
Publication statusE-pub ahead of print - 13 Jan 2025

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

ASJC Scopus subject areas

Cite this

Advancing Digital Transformation in Material Science: The Role of Workflows Within the MaterialDigital Initiative. / Bekemeier, Simon; Caldeira Rêgo, Celso Ricardo; Mai, Han Lin et al.
In: Advanced engineering materials, 13.01.2025.

Research output: Contribution to journalArticleResearchpeer review

Bekemeier, S, Caldeira Rêgo, CR, Mai, HL, Saikia, U, Waseda, O, Apel, M, Arendt, F, Aschemann, A, Bayerlein, B, Courant, R, Dziwis, G, Fuchs, F, Giese, U, Junghanns, K, Kamal, M, Koschmieder, L, Leineweber, S, Luger, M, Lukas, M, Maas, J, Mertens, J, Mieller, B, Overmeyer, L, Pirch, N, Reimann, J, Schröck, S, Schulze, P, Schuster, J, Seidel, A, Shchyglo, O, Sierka, M, Silze, F, Stier, S, Tegeler, M, Unger, JF, Weber, M, Hickel, T & Schaarschmidt, J 2025, 'Advancing Digital Transformation in Material Science: The Role of Workflows Within the MaterialDigital Initiative', Advanced engineering materials. https://doi.org/10.1002/adem.202402149
Bekemeier, S., Caldeira Rêgo, C. R., Mai, H. L., Saikia, U., Waseda, O., Apel, M., Arendt, F., Aschemann, A., Bayerlein, B., Courant, R., Dziwis, G., Fuchs, F., Giese, U., Junghanns, K., Kamal, M., Koschmieder, L., Leineweber, S., Luger, M., Lukas, M., ... Schaarschmidt, J. (2025). Advancing Digital Transformation in Material Science: The Role of Workflows Within the MaterialDigital Initiative. Advanced engineering materials. Advance online publication. https://doi.org/10.1002/adem.202402149
Bekemeier S, Caldeira Rêgo CR, Mai HL, Saikia U, Waseda O, Apel M et al. Advancing Digital Transformation in Material Science: The Role of Workflows Within the MaterialDigital Initiative. Advanced engineering materials. 2025 Jan 13. Epub 2025 Jan 13. doi: 10.1002/adem.202402149
Download
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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.",
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T2 - The Role of Workflows Within the MaterialDigital Initiative

AU - Bekemeier, Simon

AU - Caldeira Rêgo, Celso Ricardo

AU - Mai, Han Lin

AU - Saikia, Ujjal

AU - Waseda, Osamu

AU - Apel, Markus

AU - Arendt, Felix

AU - Aschemann, Alexander

AU - Bayerlein, Bernd

AU - Courant, Robert

AU - Dziwis, Gordian

AU - Fuchs, Florian

AU - Giese, Ulrich

AU - Junghanns, Kurt

AU - Kamal, Mohamed

AU - Koschmieder, Lukas

AU - Leineweber, Sebastian

AU - Luger, Marc

AU - Lukas, Marco

AU - Maas, Jürgen

AU - Mertens, Jana

AU - Mieller, Björn

AU - Overmeyer, Ludger

AU - Pirch, Norbert

AU - Reimann, Jan

AU - Schröck, Sebastian

AU - Schulze, Philipp

AU - Schuster, Jörg

AU - Seidel, Alexander

AU - Shchyglo, Oleg

AU - Sierka, Marek

AU - Silze, Frank

AU - Stier, Simon

AU - Tegeler, Marvin

AU - Unger, Jörg F.

AU - Weber, Matthias

AU - Hickel, Tilmann

AU - Schaarschmidt, Jörg

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