Exploring Li-ion Transport Properties of Li${}_3$TiCl${}_6$: A Machine Learning Molecular Dynamics Study

Selva Chandrasekaran Selvaraj, Volodymyr Koverga, Anh T. Ngo

We performed large-scale molecular dynamics simulations based on a machine-learning force field (MLFF) to investigate the Li-ion transport mechanism in cation-disordered Li${}_3$TiCl…