Open and Reproducible Materials Science Research (PREMISE)
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Abstract
This project seeks to promote and establish FAIR ORD practices in Materials Science, with a focus on streamlining the treatment of experimental and simulation data on the same footing. Metadata standards for interoperability between electronic lab notebooks (ELNs)/lab information management systems (LIMSs) and workflow management systems (WFMSs) will be developed in the field of Materials Science, and combined with ontological semantic annotations. Best practices for integrating ORD into the research process will be collected, designed, and disseminated. Pilot use cases (focusing in particular on microscopies, spectroscopies, and battery research) that are applicable broadly to Materials Science research will demonstrate the deliverables. Open platforms like openBIS and AiiDA+AiiDAlab will be enhanced to meet FAIR requirements. These advancements will enable seamless interoperability between ELN/LIMS and WFMS. The ultimate goal of the project is to contribute to autonomous laboratories, where AI-driven simulations and robotic experiments expedite materials discovery and characterization.
See the website: https://ord-premise.org/