Jonathan Yates

Dr. Jonathan Yates is a Royal Society Research Fellow and University Lecturer in Materials Modelling at the University of Oxford, affiliated with the Department of Materials and St Edmund Hall. His research focuses on computational electronic structure theory, magnetic resonance (NMR parameters, EELS), and the development of Wannier functions for Fermi surface analysis.

His research interests include:

• First-principles calculation of solid-state NMR parameters (chemical shifts, J-couplings, electric field gradients)
• Electron energy loss spectroscopy (EELS) for nanomaterials characterization
• Wannier functions theory and applications to anomalous Hall effect and electron-phonon interactions
• Development of computational tools: CASTEP-NMR, Wannier90, Optados

Recent publications highlight his work on NMR crystallography of pharmaceutical compounds, hydrogen bonding analysis in carbohydrates, and structural characterization of chalcogenide glasses. His scientific awards include the prestigious Royal Society Research Fellowship.

He has contributed to software development for solid-state simulations and collaborated on interdisciplinary studies involving NMR, DFT, and materials science. His academic career spans institutions including UC Berkeley, University of Cambridge, and University of Oxford.