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.
Machine Learning Accelerated Finite-Field Simulations for Electro- chemical Interfaces.JACS Au2025,5, 5939–5947
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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.