Samah is continuing a project investigating accurate proton position determination in acid-base co-crystals.
In her spare time Samah is on the commitee for the 2019 LMH ball. Good luck! … Read the rest
Oct 032019
Oct 032019
Max is investigating the link between several solid-state properties of materials and their constituent molecules using machine learning. He will use a database of thermodynamic properties and compare his predictions to existing models and approaches.… Read the rest
Oct 032019
Cameron is investigating algorithms for extracting 3D molecular conformation information from solid and liquid phase molecules using PDF scattering measurements. He has chosen a series of moderately flexible molecules to continue the work of Gwenno Jones.… Read the rest
Oct 032019
George is investigating the extent to which macroscopic material properties (e.g., habit) can be predicted from information about the constituent molecules of a material. The association is expected to be weak but significant and could be of use for in-silico screening of molecules for particular properties.… Read the rest
Oct 082017
Oli Bar is investigating geometric parameters of metal organic frameworks using data analysis tools and machine learning.
To unwind after a hard day of Python algorithms he plays tennis and badminton, and enjoys swimming. He prefers the non-standard setting of space group 14, P21/n, and at the time of writing … Read the rest
Oct 082017
Kiaora’s research project is to determine the structures of molecules which are liquids at room temperature or otherwise hard-to-crystallize using crystalline host frameworks and/or low temperature in-situ crystallization techniques.
While away from the lab Kiaora indulges in the incompatible sports of baking and swimming.
Her favourite space group is P21/c and … Read the rest
Oct 082017
Gwenno is investigating methods for determination of flexible organic molecular structures using the atomic pair distribution function.
Around labs, Gwenno manages to fit in singing, acting, dancing and painting, and enjoys skiing.
Oct 102017
Lewis is working on a project to improve our understanding of modulation in molecular materials by studying analogues of Barluenga’s Reagent.
Away from the lab Lewis enjoys sports including football, rugby, and American football, as well as the odd game of FIFA.
He was inspired to join the group after attending the Structural Methods Options … Read the rest
Oct 082017
Mar 112017
James is investigating partial proton transfer in a hydrogen bond in some multi-component molecular materials. He is using single crystal diffraction, solid state NMR and computational modeling.
James tempers his enthusiasm for solid state chemistry by playing mixed lacrosse for the University.… Read the rest