Applications are invited to apply for a PhD studentship in the Theory and Simulation of Condensed Matter (TSCM) Group at King’s College London, in the computational design of next-generation battery materials, working in partnership with experimental colleagues in the cross-disciplinary ‘Net Zero Centre’. These new battery materials have the potential to be transformative in the field due to their high capacity and power, but guidance in their design from computational modelling is currently lacking.

The successful candidate will become proficient in cutting-edge computational modelling beyond standard techniques to provide microscopic insight for the design of these novel high-capacity battery materials. The targeted materials exhibit highly complex electronic excitations that can only be described with accurate many-body methods for correlated electrons. During the PhD, you will use advanced techniques such as dynamical mean-field theory (DMFT, see Physics Today 57:53-59, 2004), many-body perturbation theory, post-density functional theory and quantum chemistry methods, with the potential to also be involved in further development of these emerging methodologies. You will work in close collaboration with experimentalists in the Department of Engineering at King’s, who will synthesise and characterise the materials, with the candidate being a key part in the feedback loop with these concurrent experimental endeavours.

We are looking for talented and motivated candidates with a masters-level degree (or awaiting its award) in a relevant area (Physics/Chemistry), strong condensed-matter background, knowledge in many-electron physics and techniques, interest in materials science, and solid computer programming skills.

The successful candidate will join the TSCM Group, which covers a wide range of research interests, including but not limited to many-body theory, quantum-field theory, ab initio electronic structure methods, transport simulations, dynamical mean-field theory, and quantum chemistry approaches.

For more details and instructions on how to apply, please see https://www.findaphd.com/phds/project/computational-design-of-novel-battery-materials-with-cutting-edge-techniques/?p170235 
Informal inquiries can be addressed to Dr. Jan Tomczak at [email protected] and/or Dr. George Booth at [email protected], including a short CV. Start date of the PhD is October 2024.