Consultation with the UK Catalysis Hub for National Data needs workshop

When: 1 March 2022, 10:00 GMT
Where: The Cosener’s House, Abingdon & Online

The Hub workshop to consult on data needs and wants of the catalysis community that should be delivered by a national data infrastructure.

The UK Catalysis Hub invite you to participate in the workshop on the development of a data infrastructure which we are organising.


The UK Catalysis Hub has recognised, particularly in its 2nd phase, the need for the development of a data infrastructure to capitalise on its results. There is now the opportunity for the Hub to benefit from a UKRI investment in a national data infrastructure for the physical sciences, a crucial investment towards making catalysis research in the UK fully digitally enabled. This cross-technique infrastructure would integrate data across existing initiatives such as the STFC Facilities, Academic institutions etc., to: Support multiscale modelling and multimodal research; Leverage simulation data to drive experimental science and vice versa; Surface data from many sources; Provide reference-quality data; Standardise, normalise and aggregate data and metadata; Enable data to be exploited by AI methods; Support workflows that automate data processing; Seamlessly access performance compute for scaling up; Be a place for curation of legacy beyond individual projects. 

A pilot phase of the Physical Science Data Infrastructure (PSDI) has been funded following the submission of a Statement of Need. The pilot aims to plan the next phases of the PSDI via a number of activities, including workshops with major initiatives such as the UK Catalysis Hub. A workshop’s report will be written to feed into a proposal for an investment as part of the UKRI Digital Research Infrastructure.


The aim is specifically to consult on what data needs and wants of the UK Catalysis Hub community should be delivered by a national data infrastructure such as the PSDI.


We have decided to hold this workshop as a hybrid event so the meeting will be on Zoom and we will have a physical meeting at The Cosener’s House, Abindgdon –

To register to attend online visit


10:00 Meeting opens 

10:00 Welcome and introduction – Richard Catlow, UCL/Cardiff

10:10 Introduction to the PSDI – Barbara Montanari, STFC  

10:40 A perspective – Catalysis Data Flows – Abraham Nieva de la Hidalga – UK Catalysis Hub (20 mins)

11:10 Mark Pera-Titus, Cardiff (20 mins)

11:30 BREAK

11:50 Aims of the consultation – Brian Matthews, STFC

12:10 Discussion: Needs and wants of the community in the near and far future
Chairs: Ian Silverwood, ISIS, Matthew Quesne, Cardiff, Anthony Green, Manchester 

13:30 LUNCH

14:15 Return and summarise initial discussion

14:30 Break out session on key topics

15:45 BREAK

16:00 Summary of discussions, feedback and review

16:20 Final remarks and close

You can download the programme at

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