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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Gibbs-ensemble Monte Carlo simulation of H_{2}-He mixtures

Armin Bergermann1, Martin French1, Manuel Schöttler1

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

Physical Review. E
|February 19, 2021
PubMed

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