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Research project

Artificial and Augmented Intelligence for Automated Scientific Discovery

Staff

Lead researchers

Professor Jeremy Frey

Professor of Physical Chemistry
Connect with Jeremy

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

Other researchers

Professor Mahesan Niranjan

ISIS Chair
Connect with Mahesan

Email: mn@ecs.soton.ac.uk

Collaborating research institutes, centres and groups

Research outputs

AI3SD Intern Project: Latent Space Encoding of Molecular Crystal Structures
King Wong, Graeme M. Day, Samantha Kanza, Jeremy G. Frey & Victoria Hooper, 2021
DOI: 10.5258/SOTON/AI3SD0150
Type: report
AI3SD Intern Project: Machine Learning Physics Models for Materials Self-Assembly
Aspen Fenzl, Nigel Clarke, Samantha Kanza, Jeremy G. Frey & Victoria Hooper, 2021
DOI: 10.5258/SOTON/AI3SD0142
Type: report
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 intern project: Reaction condition optimisation
Rubaiyat Khondaker, Stephen Gow, Samantha Kanza & Jeremy G. Frey, 2021
DOI: 10.5258/SOTON/AI3SD0153
Type: report
AI3SD Intern Project: Towards including chemical insights into large-scale quantum chemistry calculations
András Vekassy, Chris-Kriton Skylaris, Samantha Kanza & Jeremy G. Frey, 2021
DOI: 10.5258/SOTON/AI3SD0140
Type: report
AI3SD Intern Project: Uniting real and reciprocal space with machine learning
Sarah Scripps, James Cumby, Samantha Kanza, Jeremy G. Frey & Victoria Hooper, 2021
DOI: 10.5258/SOTON/AI3SD0149
Type: other
AI3SD Intern Project: X-ray coherent imaging using AI-based phase reconstruction
Gavin Man, Samantha Kanza, Jeremy G. Frey, William S. Brocklesby, Nicola Knight & Victoria Hooper, 2021
DOI: 10.5258/SOTON/AI3SD0143
Type: report