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Updated: Jun 4, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Nonmetal-to-metal transition in liquid hydrogen using density functional theory and the Heyd-Scuseria-Ernzerhof

Armin Bergermann1, Lucas Kleindienst1, Ronald Redmer1

  • 1Institut für Physik, Universität Rostock, D-18051 Rostock, Germany.

The Journal of Chemical Physics
|December 18, 2024
PubMed

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