Isobaric-isothermal monte carlo simulations from first principles: Application to liquid water at ambient conditions

  • Matthew J. McGrath
  • , J. Ilja Siepmann
  • , I. Feng W Kuo
  • , Christopher J. Mundy
  • , Joost Vandevondele
  • , Jürg Hutter
  • , Fawzi Mohamed
  • , Matthias Krack

Research output: Contribution to journal › Article › peer-review

96 Scopus citations

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Physics

Material Science

Earth and Planetary Sciences