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Showing 1 to 1 of 1 for “"Water-metal interfaces"”.
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Characterizing water-metal interfaces and machine learning potential energy surfaces
… dynamical, and electronic properties of liquid water next to prototypical metals including platinum, graphite, and graphene. Our results are built on Born-Oppenheimer molecular dynamics (BOMD) generated using density functional theory (DFT) which explicitly include van der Waals (vdW) …