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
Amber is the Chemical Crystallography Service Manager. See her Departmental web-page for further information.… Read the rest
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
David was the Head of Chemical Crystallography prior to his retirement in 2010. See his Departmental web-page for further information.… Read the rest
Keith is our part time X-ray technician. He has responsibility for initial Health and Safety training as well as basic instrument and infrastructure maintenance. In his spare time he works in the IT Support team.… Read the rest
George is following up his Part II year in the group with a DPhil project in collaboration with ANSTO neutron scattering facility in Sydney. He is spending most of 2019 at ANSTO collecting data on crystalline materials that need neutron diffraction to exctract crucial infomation about their structure.
In his spare time George may be … Read the rest
Andre is studying property prediction of materials with a focus on method development and relevant and information rich molecular representations.
Publications
Increasing the performance, trustworthiness and practical value of machine learning models (2020) CrystEngComm
… Read the rest
Avanti is writing code in Python to analyse crystal structures using atom centred symmetry functions (ACSFs). These descriptors will be used to determine and validate hydrogen atom positions.
Avanti plays flute and piano. While waiting for her Python notebooks to finish, she would rather be skiing, rowing or rock-climbing. … Read the rest
Amaya will be studying inclusion compounds of deoxycholic acid, particularly focusing on the guest molecule Camphor. She will be running DFT calculations to investigate the crystal structure and collecting NMR data.
Amaya enjoys running and before the 2020 lockdown had completed 97 Parkruns: “I will hopefully be hitting 100 when Parkrun is back!”.
Tom is applying a range of interpretable machine learning techniques and models to predict properties of crystalline materials.
Outside of work Tom is training for the 2021 Edinburgh marathon. Check back for updates (and sponsorship opportunities).
Tom is a co-founder of – and ‘Big Cheese’ in – The Oxford Cheese Society, and we look forward … Read the rest
