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Efficient Determination of Water/Ice Phase Diagram through Isenthalpic-Isobaric Molecular Dynamics Simulations

Arthur Benigno Weidmann1, Luís Fernando Mercier Franco2, Amadeu K Sum3

  • 1Departamento de Engenharia Química, Escola Politécnica, Universidade de São Paulo (USP), Av. Prof. Luciano Gualberto, 380, São Paulo, São Paulo 05508-010, Brazil.

The Journal of Physical Chemistry. B
|April 20, 2025
PubMed

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