Depiction of one layer of molecules in a co-crystal. One molecule is in full colour, the rest are black and white

Structure of a cocrystal of 2-aminobenzoic acid and nicotinamide

Chemical Crystallography Data and Methods Research

The group studies the crystallography of molecular materials, tests and develops tools for crystal structure analysis, and uses statistical and machine learning models to find insights into solid state molecular phenomena. We are based in the Department of Chemistry Inorganic Chemistry Laboratory at the University of Oxford.

Crystal structures of molecular materials can provide essential information in research areas from macroscopic physical properties of pharmaceutical materials to understanding function and mechanism of catalysts and solar-cell materials at the atomic scale. We develop tools to improve individual analyses and to extract information from multiple experimental results.

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