Dr. Jonathan Yates

Biography

Jonathan Yates is a professor at the University of Oxford in the Department of Materials. His research focuses on computational electronic structure theory, developing new theoretical methods and implementing user-friendly computer packages, alongside applying these methods to novel scientific problems. A major theme of his research is the development of computational methods to interpret solid-state Nuclear Magnetic Resonance (NMR) experiments. His applications cover pharmaceutical compounds, (bio)minerals, and glasses. Additionally, he has developed techniques to interpret Electron Energy Loss Spectroscopy (EELS) for applications involving nano-structured materials and interfaces. His work emphasizes the use of so-called Wannier functions to describe properties of metallic systems, including Fermi surface properties, transport, and phase transitions. His research contributions include publicly available codes such as Castep for spectroscopic properties and Wannier90 for obtaining Wannier functions. Yates is involved in several postgraduate research projects aimed at advancing the theoretical understanding of materials through computational modeling and machine learning techniques.

Research Interests