Research project

From Lab to Literature and back

Research groups:

Computational Systems Chemistry
Lead researcher:

Professor Jeremy Frey
Other researchers:

Professor Jonathan Essex,

Professor Mike Surridge,

Emeritus Professor Susan Lewis,

Professor Dave Woods,

Professor Sujit Sahu
Research funder:

EPSRC
Status:

Not active

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

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

Data management matters

Cerys Willoughby & Jeremy G. Frey, 2022, Digital Discovery, 2022(3)

DOI: 10.1039/D1DD00046B

Type: article

Fair enough: a sideways look

Jeremy G. Frey, 2021, Patterns, 2(8)

DOI: 10.1016/j.patter.2021.100331

Type: article

Talk2Lab: The smart lab of the future

Nicola Knight, Samantha Kanza, Donald Cruickshank, William Brocklesby & Jeremy G. Frey, 2020, IEEE Internet of Things Journal, 7(9), 8631-8640

DOI: 10.1109/JIOT.2020.2995323

Type: article

Too many tags spoil the metadata: Investigating the knowledge management of scientific research with semantic web technologies

Samantha Kanza, Nicholas Gibbins & Jeremy G. Frey, 2019, Journal of Cheminformatics, 11(1)

DOI: 10.1186/s13321-019-0345-8

Type: article