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Updated: Oct 23, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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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 method for adsorption under stationary and transient conditions: Interplay between transport and

Zaineb Zaafouri1, Guillaume Batôt2, Carlos Nieto-Draghi

  • 1IFP Energies Nouvelles, 1 & 4 Av. Bois Préau, 92852 Rueil Malmaison, France and Université Grenoble Alpes, CNRS, LIPhy, 38000 Grenoble, France.

Physical Review. E
|August 20, 2021
PubMed

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