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Professor Jeremy G Frey BA, MA, DPhil, FRSC, FRSS, MInstP

Professor of Physical Chemistry, Head of Computational Systems Chemistry, PI AI for Scientific Discovery Network

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Professor Jeremy G Frey is Professor of Physical Chemistry within Chemistry at the University of Southampton, and Turing Fellow.

An integrated and multi-disciplinary approach to research

Jeremy Frey obtained his DPhil on experimental and theoretical aspects of van der Waals complexes in the Physical Chemistry Labs, Oxford University under the supervision of Professor Brian Howard, followed by a NATO/EPSRC fellowship at the Lawrence Berkeley Laboratory and University of California, with Professor Y. T. Lee. In 1984 he joined the University and is now Professor of Physical Chemistry. His experimental research probes molecular organization in environments from single molecules in molecular beams to liquid interfaces using laser spectroscopy from the IR to soft X-rays. In parallels, he investigates how e-Science infrastructure supports scientific research with an emphasis on the way digital infrastructure can enhance the intelligent creation, dissemination and analysis of scientific data. This work blends with his computational and theoretical interests focussing on chemcial informatics for the prediction of chemcial properties making use of AI and Machine Learning as well as developments in modern mathematical ideas (e.g. Topological Data Analysis).

Research interests

The applications of linear and non-linear spectroscopy and imaging to the study of interfacial and nano-scale chemistry. Looking at the molecular organisation and chemistry of the air/water and oil/water interfaces, with applications to environmental (atmospheric) chemistry, biological and industrial processes.

The application of modern computer (web) science to the chemistry research process for experimental laboratory research and computational studies – “from the Laboratory to literature and back” as an illustration of the wider impact of the World Wide Web and Digital Economy on science and the citizen. 

I am an associate member of the Southampton Statistical Sciences Research Institute – S3RI, and a member of the Institute for Life Sciences (IfLS) 

Current students


Jack Doyle

Steve Brewer

Oliver Tearle


also see students with the joint Laser X-Ray Project joint with Bill Brocklesby, ORC

Post-Docs / Research Assistants

Dr. Samantha Kanza (Enterprise Fellow)

Dr. Nicola Knight

Dr. Stephen Gow

Techical & Enterprise

Sam Munday


Colin Bird

Richard Chapman

Cerys Willoughby

Company Links

Microsoft, IBM, Lonza, Syngenta, Local Treasures

MPhil/PhD research

AI for Scientific Discovery

x-ray microscopy

High Harmonic Generation

Chemical Informatics & Semantic Web

Non-linear spectroscopy and imaging

Structure and chemistry of the air/water and oil/water interfaces

Research project

Topological Data Analysis - Joning the Dots 

Research group

Computational Systems Chemistry

Affiliate research group

AI for Scientific Discovery

Research project(s)

Frey: Laser spectroscopy

Frey: Ultrafast nanoscale x–ray Microscope


Head of Computational Chemical Systems Group.


FEPS GCRF Champion.



International Union of Pure and Applied Chemistry (IUPAC)

Member of the Committee on Publications and Cheminformatics Data Standards (CPCDS)

Member of the Physical and Biophysical Chemistry Division Committee

Chair of the IUPAC 5th Edition Green Book Project

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Key Publications



Book Chapters





Teaching and Learning roles


Professor Jeremy G Frey
Chemistry, University of Southampton, Highfield, Southampton SO17 1BJ

Room Number : 27/2029

Professor Jeremy G Frey's personal home page
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