collaborators

1 paper

cond-mat.mtrl-sci2026

Vibrational, structural, and chemical fingerprints of ion diffusion in crystalline solids

Gavin Winter, Juno Nam, Rafael Gómez-Bombarelli

Predicting mobile-ion self-diffusivity from molecular dynamics (MD) simulations is essential for identifying promising solid-state electrolytes, but directly simulating ion d…