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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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Macroscopically constrained Wang-Landau method for systems with multiple order parameters and its application to

C H Chan1, G Brown1,2, P A Rikvold1

  • 1Department of Physics, Florida State University, Tallahassee, Florida 32306-4350, USA.

Physical Review. E
|June 17, 2017
PubMed

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