PhD: First-principles modelling of reactivity and ionic conductivity in electrode-electrolyte solid interfaces

Full time Engineers

JOB DESCRIPTION:

CIC energiGUNE is recruiting a candidate to pursue a PhD within a MSCA Doctoral Network Grant - Agreement No. 101311389 with the European Commission.

The objective of the project is to understand how solid–solid interfaces in next-generation batteries evolve under operating conditions, and how this evolution affects ion transport, degradation, and safety. The doctoral candidate will use quantum-mechanical simulations, complemented by advanced machine-learned potentials, to model how charge, atoms, ions, and defects move across buried electrode–electrolyte interfaces that are difficult to access experimentally. The work will be carried out in close interaction with other partners, ensuring that experimental and theoretical results iteratively inform each other.

Main job functions:

• Performing high-quality research within the scope of the project.


• Reports/papers preparation for s...