Understanding molecular simulation: from algorithms to applications Daan Feenkel, Berend Smit

By: Frenklen, DaanMaterial type: TextTextLanguage: ENG Publisher: San Diego Academic Press: Elsevier 2002Description: 638 p.: ilISBN: 9780122673511Subject(s): MOLECULAS | MODELOS MATEMATICOS | FUERZAS INTERMOLECULARES | SIMULACION POR COMPUTADORADDC classification: 539.6
Contents:
Statistical mechanics. Monte Carlo simulations. Molecular dynamics simulations. Ensembles. Monte Carlo simulations in various ensembles. Free energies and phase equilibria. Free energy calculations. The gibbs ensemble. Other methods to study coexistence. Free energies of solids. Advanced techniques. Long range interactions. Biased monte carlo schemes.
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Statistical mechanics. Monte Carlo simulations. Molecular dynamics simulations. Ensembles. Monte Carlo simulations in various ensembles. Free energies and phase equilibria. Free energy calculations. The gibbs ensemble. Other methods to study coexistence. Free energies of solids. Advanced techniques. Long range interactions. Biased monte carlo schemes.

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