A Workflow Demonstrator for Processing Catalysis Research Data

分类： 计算机科学 >> 计算机科学的集成理论 提交时间： 2022-11-28 合作期刊: 《数据智能（英文）》

Abraham, Nieva de la Hidalga Donato, Decarolis Shaojun, Xu Santhosh, Matam Willinton, Yesid Hernández Enciso Josephine, Goodall Brian, Matthews C. Richard, A. Catlow

摘要： 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.

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