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1 Sampling Free Energy Space with Metadynamics [Pg.319]

The coordination number collective variable is a good choice for modeling solvent thermodynamics of ions in solution. The coordination number of species A with respect to species B is defined using a Fermi-Dirac function as [Pg.320]

See other pages where Sampling Free Energy Space with Metadynamics is mentioned: [Pg.174] [Pg.341] [Pg.451] [Pg.138] [Pg.61] [Pg.17] [Pg.30]