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Details of Grant 

EPSRC Reference: EP/X035514/1
Title: UK High-End Computing Consortium for X-ray Spectroscopy (HPC-CONEXS)
Principal Investigator: Penfold, Professor TJ
Other Investigators:
Ingle, Dr R Rankine, Dr C Maurer, Professor R
Elliott, Dr JD Diaz-Moreno, Dr S Regoutz, Dr A
Researcher Co-Investigators:
Project Partners:
easyXAFS, LLC HarwellXPS (EPSRC National Facility) Imperial College London
Thermo Fisher Scientific
Department: Sch of Natural & Environmental Sciences
Organisation: Newcastle University
Scheme: Standard Research - NR1
Starts: 01 January 2023 Ends: 31 December 2026 Value (£): 371,871
EPSRC Research Topic Classifications:
Chemical Structure Software Engineering
EPSRC Industrial Sector Classifications:
No relevance to Underpinning Sectors
Related Grants:
Panel History:
Panel DatePanel NameOutcome
01 Jan 3000 High End Computing Consortia Full Proposal Announced
Summary on Grant Application Form
Scientific breakthroughs are strongly associated with technological developments, which enable the measurement of matter to an increased level of detail. A prime example of this is the development of femtosecond lasers, which opened up the field of ultrafast spectroscopy. This had a huge impact on our understanding of chemical reactions, biological functions and phase transitions in materials owing to their ability to probe, in real-time, the nuclear motion within these different types of systems.

A modern revolution is underway in X-ray science with the emergence of tools capable of delivering high-brilliance ultrashort pulses of X-rays. The UK, through the Diamond Light source, investment into the European X-FEL and world-leading research groups are at the forefront of these experimental endeavors. Crucially, the complicated nature and high information context of X-ray spectroscopic observables means that a strong synergy between experiment and theory is required. Since 2019, the COllaborative NEtwork for X-ray Spectroscopy (CONEXS, EP/S022058/1) has established a strong community of over 600 researchers in the area of X-ray spectroscopy, with a primary focus of

nurturing a strong synergy between experiment and theory. Through providing access to state-of-the-art computing facilities, the UK High-End Computing Consortium for X-ray Spectroscopy (HPC-CONEXS) will develop computational tools to advance the detailed analysis of experimental data. It will also provide resources and training for both experts and non-experts to further enhance the synergy between experiment and theory ensuring maximum impact from the UK's research and investment in this area.
Key Findings
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Summary
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Organisation Website: http://www.ncl.ac.uk