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Lecture Notes on: Free-Energy Calculations

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Computer Simulation in Materials Science

Part of the book series: NATO ASI Series ((NSSE,volume 205))

Abstract

Techniques to compute absolute free energies of classical many-body systems are discussed with special emphasis on those techniques that can be used to map the phase diagram of solids and liquids. Recent technical advances in the study of multi-component systems and systems consisting of flexible molecules are emphasized.

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Author information

Authors and Affiliations

  1. FOM Institute for Atomic and Molecular Physics, Kruislaan 407, SJ 1098, Amsterdam, The Netherlands

    D. Frenkel

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  1. D. Frenkel
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Editor information

Editors and Affiliations

  1. CNRS-LPM, Meudon, France

    Madeleine Meyer

  2. Centre d’Etudes Nucléaires de Saclay, SRMP-CEREM, Gif-sur-Yvette, France

    Vassilis Pontikis

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© 1991 Springer Science+Business Media Dordrecht

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Frenkel, D. (1991). Lecture Notes on: Free-Energy Calculations. In: Meyer, M., Pontikis, V. (eds) Computer Simulation in Materials Science. NATO ASI Series, vol 205. Springer, Dordrecht. https://doi.org/10.1007/978-94-011-3546-7_5

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  • DOI: https://doi.org/10.1007/978-94-011-3546-7_5

  • Publisher Name: Springer, Dordrecht

  • Print ISBN: 978-94-010-5570-3

  • Online ISBN: 978-94-011-3546-7

  • eBook Packages: Springer Book Archive

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