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cond-mat.mtrl-sci2026
Drude, Where's My Charge? End-to-End Learning of Polarizable Drude Force Fields for Polymer Electrolytes
Artur Lyssenko, KyuJung Jun, Rafael Gomez-Bombarelli
Molecular dynamics simulations of solid polymer electrolytes require force fields that are fast enough to converge ion transport over hundreds of nanoseconds, yet accurately descri…
cond-mat.mtrl-sci2026
Mechanisms of alkali ionic transport in amorphous oxyhalides solid state conductors
Luca Binci, KyuJung Jun, Bowen Deng +1
Amorphous oxyhalides have attracted significant attention due to their relatively high ionic conductivity (1 mS cm), excellent chemical stability, mechanical softness, an…