The Novel Method for Solvation Free Energy Computation of Liquid and Solid by 2PT model


The solvation free energy and vapor pressure are important thermodynamic properties of pure substances. We proposed a novel method, which even can calculate free energy of liquid, but also can calculate free energy of solid.... [ view full abstract ]


  1. Li Yang (Wuhan Institute of Technology)
  2. Shiang-tai Lin (National Taiwan University)

Topic Area

Advances in molecular simulation


P2 » Poster Session II (18:00 - Wednesday, 6th September, John McIntyre Conference Centre )

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