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A Unified Research Data Infrastructure for Catalysis Research – Challenges and Concepts
Author(s) -
Wulf Christoph,
Beller Matthias,
Boenisch Thomas,
Deutschmann Olaf,
Hanf Schirin,
Kockmann Norbert,
Kraehnert Ralph,
Oezaslan Mehtap,
Palkovits Stefan,
Schimmler Sonja,
Schunk Stephan A.,
Wagemann Kurt,
Linke David
Publication year - 2021
Publication title -
chemcatchem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.497
H-Index - 106
eISSN - 1867-3899
pISSN - 1867-3880
DOI - 10.1002/cctc.202001974
Subject(s) - interoperability , computer science , data science , metadata , process (computing) , spark (programming language) , field (mathematics) , knowledge management , world wide web , mathematics , pure mathematics , programming language , operating system
Abstract Modern research methods produce large amounts of scientifically valuable data. Tools to process and analyze such data have advanced rapidly. Yet, access to large amounts of high‐quality data remains limited in many fields, including catalysis research. Implementing the concept of FAIR data (Findable, Accessible, Interoperable, Reusable) in the catalysis community would improve this situation dramatically. The German NFDI initiative (National Research Data Infrastructure) aims to create a unique research data infrastructure covering all scientific disciplines. One of the consortia, NFDI4Cat, proposes a concept that serves all aspects and fields of catalysis research. We present a perspective on the challenging path ahead. Starting out from the current state, research needs are identified. A vision for a integrating all research data along the catalysis value chain, from molecule to chemical process, is developed. Respective core development topics are discussed, including ontologies, metadata, required infrastructure, IP, and the embedding into research community. This Concept paper aims to inspire not only researchers in the catalysis field, but to spark similar efforts also in other disciplines and on an international level.