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Updated: Apr 18, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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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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The dynamics of molecular interactions and chemical reactions at metal surfaces: testing the foundations of theory

Kai Golibrzuch1, Nils Bartels, Daniel J Auerbach

  • 1Institute for Physical Chemistry, University of Göttingen, D-37077 Göttingen, Germany.

Annual Review of Physical Chemistry
|January 13, 2015
PubMed

Keywords:
catalysisnonadiabatic theorysurface chemistrysurface dynamicssurface scattering

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