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physics.chem-ph2025
Ion-modulated structure, proton transfer, and capacitance in the Pt(111)/water electric double layer
Xiaoyu Wang, Junmin Chen, Zezhu Zeng +3
The electric double layer (EDL) governs electrocatalysis, energy conversion, and storage, yet its atomic structure, capacitance, and reactivity remain elusive. Here we introduce a…
physics.chem-ph2025
A universal augmentation framework for long-range electrostatics in machine learning interatomic potentials
Dongjin Kim, Xiaoyu Wang, Peichen Zhong +3
Most current machine learning interatomic potentials (MLIPs) rely on short-range approximations, without explicit treatment of long-range electrostatics. To address this, we recent…