Open and Reproducible Materials Science Research (PREMISE)

Category
Establish
Institutions
ETH Zurich
Data type
Electronic lab notebooks (ELNs)/lab information management systems (LIMSs)
Field
Materials Science
Researchers
Giovanni Pizzi, Edan Bainglass, Bernd Rinn, Caterina Barillari, Mihai-Cosmin Danaila, Juan Fuentes, Adam Laskowski, Henry Lütcke, Carlo Pignedoli, Fábio Da Costa Lopes, Aliaksandr Yakutovich, Simone Baffelli, Bruno Schuler, Corsin Battaglia, Nukorn Plainpan, Peter Kraus
Description
Open Research Data (ORD) promotes accessibility and reuse of research data, fostering transparency, reproducibility, and collaboration across disciplines and borders, with the goal of enhancing research effectiveness and eventually increasing societal benefit. However, researchers are often reluctant to adopt ORD practices due to a lack of (i) technology and methodologies, (ii) apparent benefit to daily research, and (iii) integrated software tools to reduce their burden. In addition, a lack of standards and examples of FAIR ORD exchange often leads to a crisis of reproducibility due to inaccurate and/or insufficiently meaningful metadata. The first workshop (2022) in the MADICES series identified the items above as key hurdles to overcome and proposed that a machine-actionable solution is a requirement for widespread adoption, as it enables full automation of interoperability processes. However, for a machine-actionable solution to work across the plethora of RDM platforms, platform-agnostic solutions must be implemented to both reduce the burden of API development and facilitate the exchange of ORD without restrictions on the selected software platforms. To this end, similarly to the semantic web, ontologies may be leveraged to connect diverse research communities, both through meaning and via uniform standards and protocols for ORD exchange. The PREMISE project thus aims to promote and facilitate the adoption of FAIR ORD practices within Materials Science (and beyond) by developing metadata standards and exchange protocols to enable ORD interoperability between RDM platforms such as electronic laboratory notebooks (ELNs)/laboratory information management systems (LIMSs) and workflow management systems (WFMSs), with the specific focus of enabling interoperability between data from simulations and experiments. To do so, the project will work to seamlessly integrate ontologies into daily research tasks, with the goals of enabling machine-actionable processes and facilitating ORD interoperability. By focusing on a platform-agnostic solution, engaging in collaborations beyond the Swiss domain, and promoting our standards and protocols through outreach (online videos and tutorials, interoperability playgrounds, workshops), PREMISE ensures it addresses the aforementioned challenges to the adoption of ORD principles. Moreover, through concrete pilot use cases in Materials Science, we anticipate that PREMISE deliverables will play a crucial role in advancing autonomous laboratories, thereby accelerating materials discovery and characterization.