People

Dr James Cumby

Dr James Cumby

James completed his undergraduate and PhD degrees in chemistry at the University of Birmingham under the supervision of Prof. Colin Greaves. His PhD research (which was awarded the RSC Roy Prize in 2012) focussed on the understanding the magnetic properties of oxide and oxide-sulfide materials derived from mineral structures. This work combined synthesis of cation-doped materials with density functional theory calculations of electronic structure to understand variations in magnetic ordering behaviour.

In April 2014 James took up a position as a postdoctoral research fellow in the group of Prof. J. Paul Attfield FRS at the Centre for Science at Extreme Conditions (CSEC), University of Edinburgh. During this ERC-funded position, James expanded his range of research techniques including single crystal diffraction and total scattering methods, focussing on the relationship between electronic phase transitions and atomic structure. He also developed a number of additional interests including an ellipsoidal method for structural analysis (including data-mining of crystallographic literature), electronic structure calculations for phase-change materials and mixed-anion (oxyfluoride) materials.

In January 2019 James was appointed as a lecturer in inorganic chemistry in the School of Chemistry, University of Edinburgh. Initially a teaching-focussed position, James was later appointed to a full lectureship covering both research and teaching roles. Besides conducting his research program, he is involved in tutoring, lab supervision and lecturing to undergraduate students, delivering courses in Energy Storage Materials and Data-driven chemistry.

Dr Ruizhi Zhang

Dr Ruizhi Zhang

Ruizhi joined the Cumby Group as a postdoctoral researcher, financially supported by an AI3SD project. Before this post, he worked at Queen Mary University of London and Northwest University(Xi'an). He holds a PhD in condensed matter physics. In the Cumby Group, his research mainly focuses on developing new descriptors for machine learning algorithms, which can be used for properties prediction of periodic structures, i.e. solid-state materials. His research aims to develop novel descriptors that contain both short-range and long-range information of the crystal structure, and use it to predict materials properties and provide some guidance for experimental synthesis.

Scott Rait

Scott Rait

Scott completed his BSc in Chemistry at the University of Aberdeen in June 2019.  He became the first member of the Cumby group in September 2019.  His research focus is the synthesis of new solid-state transition metal oxyfluorides as well as the characterisation of their magnetic, electronic and ionic properties.  Scott is also interested in Magnéli phase materials and the effects of local ordering of anions on physical properties.

Ellie Dempsey

Ellie Dempsey

Ellie is an undergraduate in the School of Chemistry in the final year of an integrated masters in Chemical Physics. She is particularly interested in materials science and the intersections between Chemistry and Physics. Beginning in September 2020, she is spending this year with the Cumby group researching niobium oxyfluorides using a mixed computational and lab-based approach. She is aiming to determine how altering their composition impacts their interesting magnetic band structure.

Piotr Toka

Piotr Toka

Piotr is currently an undergraduate student in the School of Chemistry with a particular interest in materials chemistry and machine learning. He joined the Cumby group to work on a summer project supported by the Carnegie Trust. Piotr's project focuses on investigating Voronoi tessellation data from oxides, fluorides and oxyfluorides. His work is towards applying data on Voronoi cells in machine learning methods to predict new oxyfluoride compounds.

Chenyu Huang

Chenyu Huang

Chenyu completed his undergraduate in Materials Science and Engineering at the Beijing University of Chemical Technology in July 2019. Currently, he is a masters student in Computer Science at the University of Edinburgh.  Chenyu is interested in deep learning, information retrieval, recommender systems as well as the application of machine learning techniques in the field of Chemistry and Materials. His master's degree project supervised by Drs James Cumby and Sohan Seth is to investigate the methods of positive unlabelled learning to predict whether metal oxides are susceptible to fluorination.

Rowena Cantley

Rowena Cantley

Rowena Cantley is an undergraduate MChem medicinal and biological chemistry student. She joined the Cumby group as a recipient of a University of Edinburgh School of Chemistry undergraduate summer internship, sponsored by Afton Chemical. Her project was completed remotely during summer 2020 and utilised a Linux-based supercomputing cluster. Rowena’s work involves the modelling and refinement of disordered TiOF solids combined with the simulation of X-ray diffraction data and correlation fields. Her aim is to further understanding in the relationship between structural features in the rutile crystal structure and experimental diffuse scattering.

Edmund Morris

Edmund Morris

With a Bachelor degree in Chemistry from the University of Liverpool, Edmund joined the Cumby Group for his Materials Chemistry Masters project at the University of Edinburgh. Edmund's Masters project is focused on deeper understanding of the structures of wolframite and using automation to discover further possible wolframite materials in the ISCD database. By developing new techniques to automate the comparison of solid-state structures, a more comprehensive view of wolframites can be taken. This can act as a template for the understanding of other key solid-state structures. The ultimate goals are to apply automation to facilitate the comparison of large numbers of structures; to allow machine-learning techniques to be employed in these comparisons;  to understand the structure-property relationships and to direct materials development.

Contact Information

Address

University of Edinburgh
Joseph Black Building
David Brewster Road
Edinburgh
EH9 3FJ