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Updated: Jun 25, 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

Coarse-grained modeling of the interface between water and heterogeneous surfaces

Adam P Willard1, David Chandler

  • 1Department of Chemistry, University of California, Berkeley, California 94720, USA.

Faraday Discussions
|February 21, 2009
PubMed

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