Chemistry and Chemical Engineering
Advancing predictive models for battery interfaces through quantum and AI-driven atomistic simulations
This project aims to develop cutting-edge atomistic models of battery interfaces using quantum simulations and AI-driven force fields. It explores SEI formation, chemistry, and degradation, contributing to predictive tools for next-generation batteries. Aligned with the Faraday Institution’s MSM project, it offers collaboration, impact, and transferable modelling across battery chemistries.