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Updated: Jun 28, 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 simulation of catalytic reactions

S Arcidiacono1, J Mantzaras, I V Karlin

  • 1Combustion Research, Paul Scherrer Institute, CH-5232 Villigen PSI, Switzerland. arcisalvo@gmail.com

Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
|November 13, 2008
PubMed

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