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Updated: Jun 21, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
Published on: April 12, 2019
1State University of New York, Binghamton, NY 13902, USA.
A new lattice Boltzmann method (LBM) models multiphase flows with suspended particles, incorporating surface forces. This simulation tool reveals particle dynamics near liquid-vapor interfaces and droplet interactions.
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