Day 3: Thermodynamic properties and phase diagrams #

Tutorial V #

Statistical mechanics applied to phase diagrams (basic thermodynamics for phase diagrams, statistical mechanics for free energy computation, thermodynamic integration, reversible scaling, nested sampling, examples for computed phase diagrams)
Mike Finnis (Imperial College London)

Tutorial VI #

Computing thermodynamic properties and phase diagrams (motivation, free energies, calphy scope and workflow, examples of computed phase diagrams)
Sarath Menon (MPIE Düsseldorf)

Hands-on #

Thermodynamic properties and phase diagrams from interatomic potentials
Sarath Menon (MPIE Düsseldorf)