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
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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
Jérôme’s Part II project used machine learning techniques to develop predictive models for crystallisation. He has returned to the group for a further 3 years and will be extending his earlier work to the study materials at the edge of crystallinity. He is currently serving as captain of Worcester MCR football team.… Read the rest
For his Part II year, Karim worked in Chem. Cryst. studying ion binding in rotaxanes (in collaboration with Paul Beer’s research group). He has now returned to do a D. Phil. spending part of his time at Diamond Light Source. When he’s not at Diamond he can be found playing darts or cricket for Worcester … Read the rest
As part of Age Concern, an EPSRC-funded exploration into the world of modern crystallography, Dave is developing a fast, live, configurable chemical structure matching algorithm to identify discrepancies between an expected structure and a real crystallographic structure. Implemented in his software “matchbOx”, Dave is augmenting the software capabilities to automatically handle certain cases of crystal … Read the rest
