PhD in Computational Chemistry

Applications are invited for a fully-funded DPhil studentship in Machine Learning Interatomic Potentials for Metal-Ligand Interactions available from October 2026, to work under the supervision of Professor Fernanda Duarte in the Department of Chemistry at the University of Oxford./nThe studentship will cover course fees at a Home rate and provide a stipend of no less than the standard UK Research Council rate (currently set at £20,780 p.a.) for 4 years./nThe successful candidate will join the Duarte group in the Department of Chemistry to develop innovative strategies for generating Machine Learning Interatomic Potentials (MLIPs) that accurately capture the dynamic nature of metal-ligand interactions and enable predictive simulations of structural, thermodynamic, and kinetic properties in complex systems relevant to catalysis, supramolecular chemistry, and biology./nThe candidate will benefit from close collaboration with experimentalists, training in a range of computational techniques, as well as being part of a supportive, diverse, and international research team./nThe successful applicant will be based in the Physical and Theoretical Chemistry Laboratory (PTCL), Oxford.