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Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
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Wall-liquid and wall-crystal interfacial free energies via thermodynamic integration: a molecular dynamics simulation

Ronald Benjamin1, Jürgen Horbach

  • 1Institut für Materialphysik im Weltraum, Deutsches Zentrum für Luft- und Raumfahrt (DLR), 51170 Köln, Germany.

The Journal of Chemical Physics
|August 3, 2012
PubMed

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