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A Workflow Demonstrator for Processing Catalysis Research Data

de la Hidalga, AN; Decarolis, D; Xu, S; Matam, S; Enciso, WYH; Goodall, J; Matthews, B; (2022) A Workflow Demonstrator for Processing Catalysis Research Data. Data Intelligence , 4 (2) pp. 455-470. 10.1162/dint_a_00143. Green open access

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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.

Type: Article
Title: A Workflow Demonstrator for Processing Catalysis Research Data
Open access status: An open access version is available from UCL Discovery
DOI: 10.1162/dint_a_00143
Language: English
Additional information: © 2022 Chinese Academy of Sciences. Published under a Creative Commons Attribution 4.0 International (CC BY 4.0) license.
Keywords: Workflow demonstrator; Prototyping; Scientific workflow Management; Catalysis research data; High-throughput processing and analy
UCL classification: UCL
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Chemistry
URI: https://discovery.ucl.ac.uk/id/eprint/10167354
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