Core Project Team

Headshot of Juan Bicarregui

Juan Bicarregui

Project PI
Juan Bicarregui is Head of the Data Division in the Scientific Computing Department at STFC. Juan heads up the investigator team working on PSDI.

Jeremy Frey

WP1 Lead
Jeremy Frey is Professor of Physical Chemistry, Head of Computational Systems Chemistry at University of Southampton and is the PI for the AI for Scientific Discovery Network. Jeremy takes the lead for our Governance and Strategy work package.

Headshot of Barbara Montanari

Barbara Montanari

WP2 Lead
Barbara Montanari is Head of Computational Science and Engineering Division at STFC and Director of the Computational Science Centre for Research Communities (CoSeC). Barbara takes the lead on our stakeholder engagement work package.

Headshot of Brian Matthews

Brian Matthews

WP3 Lead
Brian Matthews is currently leader of the Data Science and Technology Group at STFC. He leads the DAFNI project, developing an integrated data and modelling platform for research into National Infrastructure and is the technical lead on the Physical Sciences Data-science Service. Brian takes the lead on our architecture work package.

Headshot of Simon Coles

Simon Coles

WP4 Lead
Simon Coles is Professor of Structural Chemistry and Director of both the UK National Crystallography Service and the UK Physical Sciences Data-science Service. Simon takes the lead on our Case Studies work package.

Headshot of Vasily Bunakov

Vasily Bunakov

WP4 Investigator
Vasily is a Researcher in the Scientific Computing Department at STFC. Vasily contributes to case studies in WP4, and to coordination between WP4 and WP3.

Nicola Knight

Project Co-ordinator
Nicola Knight is a research fellow at the University of Southampton and will be coordinating activities across the pilot project, working to deliver WP2 objectives and taking part in several WP4 case studies.

Our collaborators

Pilot Project Contributors

  • Abraham Nieva de la Hidalga, UK Catalysis Hub
  • Alexander Dibbo, STFC
  • Andrew Cooper, University of Liverpool
  • Alin Elena, STFC
  • Cerys Willoughby, University of Southampton
  • Charlie Holdship, University of Southampton
  • Cheney Ketley, STFC
  • Christopher Taylor, University of Southampton
  • Colin Bird, University of Southampton
  • Damian Jones, STFC
  • Dave Emerson, STFC
  • David Crooks, STFC
  • Derek Ross, STFC
  • Dominik Jochym, STFC
  • Don Cruickshank, University of Southampton
  • Edoardo Pasca, STFC
  • Esme Williams, STFC
  • Georgia Lomas, STFC
  • Gilberto Teobaldi, STFC
  • Graeme Day, University of Southampton
  • Ian Bruno, CCDC
  • Ian Sinclair, University of Southampton
  • Illian Todorov, STFC
  • James Gebbie, STFC
  • Jens Jensen, STFC
  • Joseph Thacker, University of Liverpool
  • Leon Petit, STFC
  • Marion Samler, STFC
  • Martin Horsch, STFC
  • Martin Plummer, STFC
  • Martyn Winn, STFC
  • Michael Seaton, STFC
  • Nick Hill, STFC
  • Nicola Morley, University of Sheffield
  • Noel Vizcaino, STFC
  • Richard Boardman, University of Southampton
  • Richard Catlow, UK Catalysis Hub
  • Richard Rowan Robinson, University of Sheffield
  • Robert Bannister, University of Southampton
  • Rocio Garavito Ramirez, STFC
  • Ronald Swart, Centre for Process Innovation
  • Samantha Pearman-Kanza, University of Southampton
  • Silvia Chiaccheria, STFC
  • Steve Brewer, University of Lincoln
  • Suzanna Ward, CCDC
  • Thomas Allam, University of Southampton
  • Victoria Hooper, University of Southampton
  • Zhaoyuan Leong, University of Sheffield