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Gibbs-Duhem integration pseudo-ensemble

Interesting connections between many of the methods discussed in the present chapter have been pointed out by Escobedo [54,55]. In particular, Escobedo suggests that Gibbs-Duhem integration, pseudo-ensembles, and the NPT + test particle method can be considered as low-order approximations of a histogram reweighting approach. [Pg.339]

Escobedo, F. A. de Pablo, 1. J., Pseudo-ensemble simulations and Gibbs-Duhem integrations for polymers, J. Chem. Phys. 1997,106, 2911-2923... [Pg.384]

There are many different routes for calculating phase equilibria that are covered in detail in other chapters of this volume thermodynamic scaling Monte Carlo (chapter by Valleau), Gibbs-Duhem integration along coexistence lines (chapter by Kofke), and pseudo-ensemble methods (chapter by de Pablo and Escobedo). Thus these methods are not discussed here. [Pg.451]

III. THE NPT+ TEST PARTICLE METHOD, GIBBS-DUHEM INTEGRATION AND PSEUDO-ENSEMBLES... [Pg.319]


See other pages where Gibbs-Duhem integration pseudo-ensemble is mentioned: [Pg.361]    [Pg.66]    [Pg.315]    [Pg.322]   
See also in sourсe #XX -- [ Pg.361 , Pg.362 ]




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