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A workflow demonstrator for processing catalysis research data

Nieva de la Hidalga, Abraham, Decarolis, Donato, Xu, Shaojun, Matam, Santhosh, Enciso, Willinton Yesid Hernández, Goodall, Josephine, Matthews, Brian and Catlow, C. Richard A. 2022. A workflow demonstrator for processing catalysis research data. Data Intelligence 4 (2) , pp. 455-470. 10.1162/dint_a_00143

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Abstract

The UK Catalysis Hub (UKCH) is designing a virtual research environment to support data processing and analysis, the Catalysis Research Workbench (CRW). The development of this platform requires identifying the processing and analysis needs of the UKCH members and mapping them to potential solutions. This paper presents a proposal for a demonstrator to analyse the use of scientific workflows for large scale data processing. The demonstrator provides a concrete target to promote further discussion of the processing and analysis needs of the UKCH community. In this paper, we will discuss the main requirements for data processing elicited and the proposed adaptations that will be incorporated in the design of the CRW and how to integrate the proposed solutions with existing practices of the UKCH. The demonstrator has been used in discussion with researchers and in presentations to the UKCH community, generating increased interest and motivating further development.

Item Type: Article
Date Type: Publication
Status: Published
Schools: Chemistry
Additional Information: Published under a Creative Commons Attribution 4.0 International (CC BY 4.0) license.
Publisher: Massachusetts Institute of Technology Press
ISSN: 2641-435X
Funders: ESPRC
Date of First Compliant Deposit: 29 March 2022
Date of Acceptance: 5 February 2022
Last Modified: 31 May 2022 07:23
URI: https://orca.cardiff.ac.uk/id/eprint/148610

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