D1.1 - Metadata schema and documentation/white paper for interoperable experimental-simulation materials science
This deliverable provides documentation in the form of a white paper on interoperability between experiments and simulations in materials science. The document is considered a living document and may evolve according to our findings throughout the life of the project.
You may read the document here.
- Nukorn Plainpan (Empa)
- Fabio Lopes (Empa)
- Edan Bainglass (PSI)
- Caterina Barillari (ETH Zurich)
- Corsin Battaglia (Empa)
- Carlo Pignedoli (Empa)
- Giovanni Pizzi (PSI)
This repository contains a white paper entitled "Journey to ontologize metadata". Ontologies in metadata definitions render data as both machine-readable and actionable. This process accelerates data sharing and integration for applications such as machine learning, but also significantly boosts automation and workflow efficiency. Furthermore, ontologizing metadata upholds the principles of FAIR data, making them Findable, Accessible, Interoperable, and Reusable, specifically focusing on the aspect of interoperability, which is the primary goal of this deliverable. The paper contained in this repository describes the process to decide which metadata to use for a given use-case and how to apply ontologies to the selected metadata fields. This process is based on the experience derived from two case studies investigated as part of the PREMISE project: coin-cell assembly and cycling, and Scanning Probe Microscopy (SPM).
In order to achieve interoperability between experimental and simulation data, the metadata necessary to describe both processes has been defined and ontologized. This process has been applied to two use-cases: coin-cell assembly and cycling, and Scanning Probe Microscopy (SPM). The paper presented in this repository describes the process that allowed to achieve this goal. The metadata schema generated as part of this process are part of two other deliverables of the PREMISE project:
- D2.1 - metadata schema for microscopy and spectroscopy
- D3.1 - metadata schema for digital twins in battery research
The PREMISE project is supported by the Open Research Data Program of the ETH Board.
