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Updated: Jul 18, 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

Lattice-Boltzmann simulations of self-assembly of a binary water-surfactant system into ordered bicontinuous cubic

M Nekovee1, P V Coveney

  • 1Centre for Computational Science, Department of Chemistry, Queen Mary, University of London, Mile End Road, London E1 4NS, United Kingdom.

Journal of the American Chemical Society
|December 6, 2001
PubMed

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