The Chemical Crystallography Research Group consists of permanent staff, Post-Doctoral Research Associates (PDRAs), D. Phil. students, undergraduate (Part II) students and visitors.

Oct 072011
Dr. Kirsten E. Christensen (Glasstone Fellow 2011-2014)

Kirsten’s research is focused on several areas that will establish a fundamental understanding of modulation in molecular materials e.g. their formation and properties. This knowledge can be put to immediate use in Crystal Engineering, and will also affect research in pharmaceuticals, developments in molecular modelling and crystal packing predictions.

See Kirsten’s Departmental web-page for further … Read the rest

May 152013
Dr. Pascal Parois

Pascal is a senior post-doctoral researcher working on refinement and analysis of diffraction from very short lived excited state chemical species. He obtained a PhD with Dr Mark Murrie at Glasgow University studying the effects of pressure on single molecular magnets, and has since held posts at Utrecht University and University of Nancy working on … Read the rest

Oct 102017
Mr Lewis Morgan (Part II 2017-18)

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
Mr James Bird (Part II 2017-18)

James is carrying out a research project using molecular dynamics to improve our models of disorder in crystal structures.

James’ favourite undergraduate course was Prof Ritchie’s Quantum Mechanics stuff, and his preferred exchange correlation functional is the classic PBE.

 … Read the rest

Oct 082017
Ms Kiaora Tolmie (Part II 2017-18)

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
Mr Oli Bar (Part II 2017-18)

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
Ms Gwenno Jones (Part II 2017-18)

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.

 She still prefers programming in Python 2 over Python 3, and her favourite XC functional is LDA (who knew?).
Read the rest