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Research project

Active Learning for Computational Polymorph Landscape Analysis


Lead researcher

Professor Graeme Day

Professor of Chemical Modelling

Research interests

  • crystal structure prediction
  • materials discovery
  • computational chemistry
Other researchers

Professor Simon Coles

Professor of Structural Chemistry

Research interests

  • Chemical Crystallography
  • Structures under change
  • Quantum Crystallography

Professor Dave Woods

Professor of Statistics

Research interests

  • Design of experiments
  • Bayesian statistics
  • Statistical computing

Collaborating research institutes, centres and groups

Research outputs

Olga Egorova,
David Woods,
, 2020 , Journal of Physical Chemistry A , 124 (39) , 8065--8078
Type: article
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