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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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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

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Equation of state of metallic hydrogen from coupled electron-ion Monte Carlo simulations

Miguel A Morales1, Carlo Pierleoni, D M Ceperley

  • 1Department of Physics, University of Illinois at Urbana-Champaign, Illinois 61801, USA. mmorale3@illinois.edu

Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
|April 7, 2010
PubMed

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