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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

Published on: April 12, 2019

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Path-integral Monte Carlo simulation of the warm dense homogeneous electron gas

Ethan W Brown1, Bryan K Clark2, Jonathan L DuBois3

  • 1Department of Physics, University of Illinois at Urbana-Champaign, 1110 West Green Street, Urbana, Illinois 61801-3080, USA and Lawrence Livermore National Lab, 7000 East Avenue, L-415, Livermore, California 94550, USA.

Physical Review Letters
|August 29, 2014
PubMed

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