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Research project

Physical Sciences Data Infrastructure Phase 1b

Staff

Lead researchers

Professor Simon Coles

Professor of Structural Chemistry
Research interests
  • The work we do is highly collaborative and multidisciplinary and can broadly be split into th…
  • 1) National Crystallography Service (NCS, www.ncs.ac.uk) & Physical Sciences Data-science…
  • 2) Structural Chemistry We have an interest in determining the mechanisms of solid-state rea…
Connect with Simon

Email: sjc5@soton.ac.uk

Other researchers

Professor Jeremy Frey

Professor of Physical Chemistry
Connect with Jeremy

Email: J.G.Frey@soton.ac.uk

Dr Nicola Knight

Principal Enterprise Fellow
Connect with Nicola

Email: N.Knight@soton.ac.uk

Dr Samantha Pearman-Kanza

Principal Enterprise Fellow
Research interests
  • Semantic Web
  • Linked Data
  • Ontologies
Connect with Samantha

Email: S.Pearman-Kanza@soton.ac.uk

Collaborating research institutes, centres and groups

Research outputs

Data accessibility in the chemical sciences: an analysis of recent practice in organic chemistry journals
Sally Bloodworth, Cerys Willoughby & Simon J. Coles, 2025, Beilstein Journal of Organic Chemistry, 21, 864-876
DOI: 10.3762/bjoc.21.70
Type: article
Resurrecting second harmonic generation (SHG) case study
Matthew Partridge, Stephen Gow, Jack Doyle, Don Cruickshank, Samantha Pearman-Kanza & Jeremy G. Frey, 2025
DOI: 10.5258/SOTON/PSDI0001
Type: report
Digital research environments
Samantha Kanza, Cerys Willoughby, Nicola Knight, Colin Leonard Bird, Jeremy G. Frey & Simon J. Coles, 2023, Digital Discovery, 2(3), 602-617
DOI: 10.1039/d2dd00121g
Type: article