Details
Original language | English |
---|---|
Number of pages | 29 |
Journal | Advanced engineering materials |
Early online date | 13 Jan 2025 |
Publication status | E-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
- Materials Science(all)
- General Materials Science
- Physics and Astronomy(all)
- Condensed Matter Physics
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In: Advanced engineering materials, 13.01.2025.
Research output: Contribution to journal › Article › Research › peer review
}
TY - JOUR
T1 - Advancing Digital Transformation in Material Science
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
N1 - Publisher Copyright: © 2025 The Author(s). Advanced Engineering Materials published by Wiley-VCH GmbH.
PY - 2025/1/13
Y1 - 2025/1/13
N2 - 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.
AB - 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.
KW - digitalisation
KW - FAIR principles
KW - MaterialDigital
KW - scientific workflows
KW - semantic interoperability
UR - http://www.scopus.com/inward/record.url?scp=85214684354&partnerID=8YFLogxK
U2 - 10.1002/adem.202402149
DO - 10.1002/adem.202402149
M3 - Article
AN - SCOPUS:85214684354
JO - Advanced engineering materials
JF - Advanced engineering materials
SN - 1438-1656
ER -