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Research project

From Lab to Literature and back

Staff

Lead researcher

Professor Jeremy Frey

Professor of Physical Chemistry
Connect with Jeremy

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

Other researchers

Professor Jonathan Essex

Professor
Connect with Jonathan

Email: J.W.Essex@soton.ac.uk

Professor Mike Surridge

Professorial Fellow Information Tech

Research interests

  • Computer Networks Security
  • Automated cyber security risk assessment and management
Connect with Mike

Email: ms8@soton.ac.uk

Emeritus Professor Susan Lewis

Connect with Susan

Email: S.M.Lewis@soton.ac.uk

Professor Dave Woods

Professor of Statistics

Research interests

  • Design of experiments
  • Bayesian statistics
  • Statistical computing
Connect with Dave

Email: D.Woods@soton.ac.uk

Professor Sujit Sahu

Professor of Statistics

Research interests

  • Applied Bayesian modelling
  • Bayesian computation
  • Spatio-temporal data modelling
Connect with Sujit

Email: S.K.Sahu@soton.ac.uk

Collaborating research institutes, centres and groups

Computational Systems Chemistry

Our research covers a broad range of domains from nanoscale materials properties, atmospheric chemistry, through to biological systems.

Research outputs

Are Distributed Ledger Technologies the panacea for food traceability?
Simon Pearson, David May, Georgios Leontidis, Mark Swainson, Stephen J Brewer, Luc Bidaut, Jeremy G. Frey, Gerard Parr, Roger Maull & Andrea Zisman, 2019, Global Food Security, 20, 145-149
DOI: 10.1016/j.gfs.2019.02.002
Type: article
Electronic lab notebooks
Samantha Kanza, Cerys Willoughby, Nicholas Gibbins, Richard J. Whitby, Jeremy Frey, Jana Erjavec, Klemen Zupančič, Matjaž Hren & Katarina Kovač, 2017, Journal of Cheminformatics, 9
DOI: 10.1186/s13321-017-0221-3
Type: article
The evolution of digital chemistry at Southampton
Colin Bird, Simon J. Coles & Jeremy G. Frey, 2015, Molecular Informatics
DOI: 10.1002/minf.201500008
Type: article
ChemTrove: Enabling a generic ELN to support chemistry through the use of transferable plug-ins and online data sources
Aileen E. Day, Simon Coles, Colin Bird, Jeremy Frey, Richard Whitby, Valery E. Tkachenko & Antony J. Williams, 2015, Journal of Chemical Information and Modeling, 55(3), 501-509
DOI: 10.1021/ci5005948
Type: article
Collection, curation, citation at source: Publication@Source 10 years on
Jeremy Frey, Simon Coles, Colin Bird & Cerys Willoughby, 2015, International Journal of Digital Curation, 10(2), 1-11
DOI: 10.2218/ijdc.v10i2.377
Type: article