2 papers
cond-mat.mtrl-sci2026
Discovery of Polymer Electrolytes with Bayesian Optimization and High-Throughput Molecular Dynamics simulations
Antonia S. Kuhn, JurÄis Ruža, KyuJung Jun +2
Polymer electrolytes are critical for safe, high-energy-density solid-state batteries, yet discovering candidates that balance high ionic conductivity with high transference number…
cond-mat.mtrl-sci2026
Universal Framework for Decomposing Ionic Transport into Interpretable Mechanisms
KyuJung Jun, Pablo A. Leon, JurÄis Ruža +2
Understanding mechanisms of ion transport in bulk materials is central to designing next-generation ion conductors for energy storage devices, yet studies employing all-atom molecu…