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We propose a new method to compute the free energy or enthalpy of fluids ordisordered solids by computer simulation . The main idea is to construct areference system by freezing one representative configuration, and then carryout a thermodynamic integration. We present a strategy and an algorithm whichallows to sample the thermodynamic integration path even in the case ofliquids, despite the fact that the particles can diffuse freely through thesystem. The method is described in detail and illustrated with applications tohard sphere fluids and solids with mobile defects.

A method to compute absolute free energies or enthalpies of fluids