Pre-registered validation of an ML Na-cathode voltage screen yields 0.67 V MAE against experiment, with Materials Project PBE+U references 0.54 V low and voltage-dependent residuals preventing calibration, leading to retirement of the screen.
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Computational references are not experiments: pre-registered validation of machine-learned sodium-cathode voltages
Pre-registered validation of an ML Na-cathode voltage screen yields 0.67 V MAE against experiment, with Materials Project PBE+U references 0.54 V low and voltage-dependent residuals preventing calibration, leading to retirement of the screen.