A new explicit electric potential-embedded machine learning framework unifies atomic force and electron density predictions for electrochemical interfaces using PE-MACE and PE-EDP models.
Constant-Potential MD with Neural Network Potentials Reveals Cation Effects on CO 2 Reduction at Au- Water Interfaces.JACS Au2026,6, 868–880
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Explicit Electric Potential-Embedded Machine Learning Framework: A Unified Description from Atomic to Electronic Scales
A new explicit electric potential-embedded machine learning framework unifies atomic force and electron density predictions for electrochemical interfaces using PE-MACE and PE-EDP models.