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

Published on: April 12, 2019

Influence of polarizability on metal oxide properties studied by molecular dynamics simulations

Philipp Beck1, Peter Brommer, Johannes Roth

  • 1Institut für Theoretische und Angewandte Physik (ITAP), Universität Stuttgart, Stuttgart, Germany. beck@itap.physik.uni-stuttgart.de

Journal of Physics. Condensed Matter : an Institute of Physics Journal
|November 10, 2012
PubMed

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