Model interaction potentials for selenium from ab initio molecular simulations

John Mauro, Arun K. Varshneya

Research output: Contribution to journalArticle

34 Scopus citations


We develop model interaction potentials for elemental selenium based on ab initio molecular simulations and cluster expansion theory. Our potentials are used in classical Monte Carlo simulations to characterize the structure of selenium glass.

Original languageEnglish (US)
Article number214105
JournalPhysical Review B - Condensed Matter and Materials Physics
Issue number21
StatePublished - Jun 1 2005


All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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