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Updated: Jun 3, 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

Published on: April 12, 2019

Molecular simulation of aqueous solutions at clay surfaces

B Rotenberg1, V Marry, N Malikova

  • 1UPMC Université, Paris-06 and CNRS, PECSA, UMR 7195, F-75005, Paris, France. benjamin.rotenberg@upmc.fr

Journal of Physics. Condensed Matter : an Institute of Physics Journal
|March 15, 2011
PubMed

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