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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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Generalization of Metropolis and heat-bath sampling for Monte Carlo simulations

B M Boghosian1

  • 1Center for Computational Science, Boston University, 3 Cummington Street, Boston, Massachusetts 02215, USA. bruceb@bu.edu

Physical Review. E, Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics
|April 24, 2002
PubMed

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