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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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Coarse Grained Simulations of the Electrolytes at the Water-Air Interface from Many Body Dissipative Particle

Aziz Ghoufi1, Patrice Malfreyt2

  • 1Institut de Physique de Rennes , CNRS, UMR 6251, 263 avenue Général Leclerc, 35042 Rennes, France.

Journal of Chemical Theory and Computation
|November 24, 2015
PubMed

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