most citedBayesian E(3)-Equivariant Interatomic Potential with Iterative Restratification of Many-body Message Passing

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cond-mat.mtrl-sci2026

Accelerated Discovery of Nitrogen-Coordinated Dual-Atom Hydrogen Evolution Reaction Electrocatalysts via Machine Learning Potentials

Yanmei Zang, Hyun Gyu Park, Gi Beom Sim +7

The hydrogen evolution reaction (HER) is central to sustainable hydrogen production, and nitrogen coordinated dual atom catalysts (DACs) offer a promising route to noble metal acti…