Our Research Projects

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  3. Ion transport and interfaces in solid electrolytes

Ion transport and interfaces in solid electrolytes

This is a project which is currently making use of HPC facilities at Newcastle University. It is active.

Project Contacts

For further information about this project, please contact:


Project Description

Atomistic modelling of battery materials using density functional theory and molecular dynamics simulations.


Software or Compute Methods

Density functional theory software like VASP and CP2K. We also use python processing tools like pymatgen.