Research project

Physical Sciences Data Infrastructure Phase 1b

Research groups:

Computational Systems Chemistry

Characterisation and Analytics
Lead researcher:

Professor Simon Coles
Other researchers:

Professor Jeremy Frey,

Dr Nicola Knight,

Dr Samantha Pearman-Kanza
Research funder:

EPSRC
Status:

Active

Staff

Lead researcher

Professor Simon Coles

Professor of Structural Chemistry

Research interests

Chemical Crystallography
Structures under change
Quantum Crystallography

Email: s.j.coles@soton.ac.uk

Other researchers

Professor Jeremy Frey

Professor of Physical Chemistry

Email: j.g.frey@soton.ac.uk

Dr Nicola Knight

Coordinator-PSDI

Email: n.knight@soton.ac.uk

Dr Samantha Pearman-Kanza

Senior Enterprise Fellow

Research interests

Semantic Web
Linked Data
Ontologies

Email: s.pearman-kanza@soton.ac.uk

Collaborating research institutes, centres and groups

Characterisation and Analytics

Combing specialists from mass spectrometry, nuclear magnetic resonance spectroscopy and X-ray diffraction to create a world-class problem solving team.

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