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Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
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A Hundred-Year-Old Experiment Re-evaluated: Accurate Ab Initio Monte Carlo Simulations of the Melting of Radon

Odile R Smits1,2, Paul Jerabek1,2, Elke Pahl1,2

  • 1The New Zealand Institute for Advanced Study and the Institute for Natural and Mathematical Science, Massey University (Albany), 0632, Auckland, New Zealand.

Angewandte Chemie (International Ed. in English)
|June 14, 2018
PubMed

Keywords:
Monte Carlo simulationsab initio theorybulk propertiesmelting processesradon

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