ML interatomic potentials reveal fast Li+ conduction mechanism in glassy antiperovskites
TimothyDuignan · x · 2026-10-11
A new study in the Journal of Materials Chemistry A uses machine-learning interatomic potentials to uncover how glassy antiperovskites conduct Li+ ions so fast, attributing it to lattice softening, topological disorder, and a partial paddlewheel mechanism. Work from IIT Gandhinagar, showcasing ML potentials for battery materials simulation.
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