Molecular Dynamics Simulation and Artificial Intelligence-Driven Development of New Lithium Electrolytes with High Ionic Conductivity and Understanding Ion Transport
High ionic conductivity electrolytes are vital for ensuring robust lithium-ion battery performance, especially in low-temperature environments. In this study, we systematically investigated a novel chemical space comprising 2604 electrolyte formulations using high-throughput molecular dynamics (MD)...
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2025
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