Cameron Dean

I aim to improve electrochemical energy storage systems through the optimization of materials and interfaces in solid-state batteries. Although solid-state batteries offer potential improvements in safety, energy density, and lifespan, current solid electrolytes still need enhanced ionic conductivity and electrochemical stability. To design materials with these favourable properties, I employ first principles computational methods such as density functional theory (DFT), ab initio molecular dynamics (AIMD), and nudged elastic band (NEB) calculations. The advantage of these methods over experimental techniques is that they enable atomic resolution of phenomena that are difficult to probe, and they are compatible with high-throughput screening. As such, my research complements experimental results by offering deeper insights into complex processes like ion migration and interphase formation, as well as valuable guidance for designing novel materials based on large datasets. Owing to these advantages, I utilize these ab initio techniques along with fundamental chemistry and engineering principles to develop structure-property relationships for ion conductors and their interfaces. To capture larger-scale phenomena such as void formation at lithium metal anodes, I combine these simulations with classical methods to create computationally efficient multiscale models. Overall, my research contributes to the discovery and improvement of battery materials for increased lifetime, safety, and energy density.