Oct 032019
 
George Monk (Part II 2018-19)

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
 
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. 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
 
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?).
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Oct 102017
 
Mr. Lewis C. F. 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

Mar 112017
 
Mr. James Walker (Part II 2016-17)

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