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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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Lattice Boltzmann model for the simulation of multicomponent mixtures

S Arcidiacono1, I V Karlin, J Mantzaras

  • 1Paul Scherrer Institute, Combustion Research, CH-5232 Villigen PSI, Switzerland.

Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
|November 13, 2007
PubMed

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