Part II Research Year

Present and former Part II year researchers are listed below. If you are an Oxford Undergraduate Chemist interested in undertaking your final year research project in crystallography then please consult the list of potential projects and contact us for further information.

Oct 042019
 
Natalie Haarer (Part II 2019-20)

Natalie is implementing a scattering model for chemical groups which behave as “hindered rotors” to the base Fortran code of the CRYSTALS software. The representation requires fewer parameters and is more physically realistic than current models. Look out for better trifluoromethyl groups in future!

Natalie does not have a favourite programming language, believing instead that … Read the rest

Oct 042019
 
Aditya Desai (Part II 2019-20)

Aditya is developing machine learning methods for predicting the classification of various crystallographic properties. He mostly works with Python 3 and associated ML and DL libraries.

In his spare time he enjoys baking and hiking. His go to space group is Fmmm and his favourite intermolecular interaction is pi-pi stacking – classic. … Read the rest

Oct 042019
 

Noah is researching development of better descriptors of molecules for use in machine learning to prediction of crystal properties. Despite being stuck in the basement, Noah’s favourite building on the Chemistry estate is the CRL. His favourite functional is B3LYP and when not in the lab he plays hockey and 5-a-side football.… Read the rest

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