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20192023
most citedSimulating electrochemical systems by combining the finite field method with a constant potential electrode

100 citations · 244 across the 5 of their papers we have counts for

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Showing 2023 · cond-mat.mtrl-sciShow all

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cond-mat.mtrl-sci2023★ 22 cited

PiNNwall: Heterogeneous Electrode Models from Integrating Machine Learning and Atomistic Simulation

Thomas Dufils, Lisanne Knijff, Yunqi Shao +1

Electrochemical energy storage always involves the capacitive process. The prevailing electrode model used in the molecular simulation of polarizable electrode-electrolyte systems…