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Research project

UK Physical Sciences Database Service National Research Facility

Staff

Lead researcher

Professor Simon Coles

Professor of Structural Chemistry

Research interests

  • Chemical Crystallography
  • Structures under change
  • Quantum Crystallography
Other researchers

Professor Jeremy Frey

Professor of Physical Chemistry

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

AI3SD Series: Skills4Scientists 2021
Samantha Kanza,
Nicola Knight,
Jeremy G. Frey,
Samuel Munday,
& Simon J. Coles
, 2021
DOI: 10.5258/SOTON/AI3SD0180
Type: conference
AI3SD Intern Project: Predicting IUPAC names of inorganic compounds with deep learning
Thomas Allam,
Simon J. Coles,
Samantha Kanza,
Nicola Knight,
& Victoria Hooper
, 2021
DOI: 10.5258/SOTON/AI3SD0148
Type: report
AI3SD Video: Using RDKit
Samuel Munday,
Samantha Kanza,
Nicola Knight,
& Jeremy G. Frey
, 2021
DOI: 10.5258/SOTON/P0117
Type: conference
AI3SD Video: Skills4Scientists - Poster & Careers Symposium - Poster Compilation
Jeremy G. Frey,
Samantha Kanza,
Nicola Knight,
András Vekassy,
Aspen Fenzl,
Erhan Gulsen,
Hewan Zewdu,
Jamie Longio,
Maximilian Hoffman,
Rhyan Barrett,
Rubaiyat Khondaker,
Anna Catton,
Hongyang Dong,
Kevin Calvache,
Kaylee Patel,
King Wong,
Louis Greenhalgh,
Rebecca, Jane Clements,
Thomas Allam,
Sarah Scripps,
Gavin Man,
Samuel Munday,
Michael Blakey,
Graeme M. Day,
Chris-Kriton Skylaris,
Simon J. Coles,
Stephen Gow,
& William Brocklesby
, 2021
DOI: 10.5258/SOTON/P0158
Type: conference
AI3SD Video: Typing, Variables, Data Types & Functions
Samuel Munday,
Samantha Kanza,
Nicola Knight,
Jeremy G. Frey,
& Victoria Hooper
, 2021
DOI: 10.5258/SOTON/P0125
Type: conference
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