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Updated: Jun 2, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

Multiscale modelling in computational heterogeneous catalysis

F J Keil1

  • 1Chemical Reaction Engineering, TU Hamburg-Harburg, Eissendorfer Str. 38, 21073 Hamburg, Germany. keil@tu-harburg.de

Topics in Current Chemistry
|April 21, 2011
PubMed

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