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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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Least-squares finite-element lattice Boltzmann method

Yusong Li1, Eugene J LeBoeuf, P K Basu

  • 1Department of Civil and Environmental Engineering, Vanderbilt University, Nashville, Tennessee 37325, USA.

Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
|July 13, 2004
PubMed

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