I'd like to bring to your attention the project by Julian Holland, PhD student at University of Southampton (co-sponsored by BIOVIA). 

Julian applies quantum mechanical simulations, in particular with the ONETEP module of BIOVIA Materials Studio, to Li ion transport in battery electrodes. Julian presented the first results of his work on large-scale simulation of Li ion insertion into graphite nanoparticles at the Faraday Institution early careers event in November 2020 and won the prize for his poster! The judges felt that there was good demonstration of the concept, modelling approach and simulation results in comparison against experiment. This work can pave the way to automation of computational experiments on intercalation, the basic process in Li charging in batteries. Congratulations to Julian!

You can watch Julian’s talk using this YouTube link: https://youtu.be/6m_K9TO7hNg