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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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Simulation of charged systems in heterogeneous dielectric media via a true energy functional

Vikram Jadhao1, Francisco J Solis, Monica Olvera de la Cruz

  • 1Department of Materials Science and Engineering, Northwestern University, Evanston, Illinois 60208, USA.

Physical Review Letters
|February 2, 2013
PubMed

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