AQVolt26 is a new high-temperature halide dataset that improves universal ML interatomic potentials for distorted configurations while showing that near-equilibrium relaxation data is not universally helpful.
Multi-Solid-Electrolyte Systems for All-Solid-State Batteries: Current Status and Future Prospects.ACS Applied Energy Materials, 8(9):5585–5611, 5 2025
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AQVolt26: High-Temperature r$^2$SCAN Halide Dataset for Universal ML Potentials and Solid-State Batteries
AQVolt26 is a new high-temperature halide dataset that improves universal ML interatomic potentials for distorted configurations while showing that near-equilibrium relaxation data is not universally helpful.