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Nested Markov chain Monte Carlo sampling of a density functional theory potential: equilibrium thermodynamics of

Joshua D Coe1, Thomas D Sewell, M Sam Shaw

  • 1Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA. jcoe@lanl.gov

The Journal of Chemical Physics
|August 28, 2009
PubMed

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