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

Mar 162011
Prof. Richard I. Cooper

Richard is the Head of the Chemical Crystallography. His interests are in developing better ways of modelling diffraction experiments and using databases of crystal structure information to derive chemical and crystallographic knowledge.
Outside the confines of the department Richard “enjoys” running and learns karate. He is enthusiastic about cycling, but only for commuting – never … Read the rest

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

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
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

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

May 152013
Dr. Pascal Parois (PDRA 2012 - 17)

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