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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
94
Scopus
citations