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Simulation Techniques for Calculating Free Energies

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Computer Simulations in Condensed Matter Systems: From Materials to Chemical Biology Volume 1

Part of the book series: Lecture Notes in Physics ((LNP,volume 703))

Abstract

The study of phase transitions has played a central role in the study of condensed matter. Since the first applications of molecular simulations, which provided some of the first evidence in support of a freezing transition in hardsphere systems, to contemporary research on complex systems, including polymers, proteins, or liquid crystals, to name a few, molecular simulations are increasingly providing a standard against which to measure the validity of theoretical predictions or phenomenological explanations of experimentally observed phenomena.

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Authors and Affiliations

  1. Institut für Theoretische Physik, Georg-August- Universität, 37077, Göttingen, Germany

    M. Müller

  2. Department of Chemical and Biological Engineering, University of Wisconsin-Madison, 53706-1691, Madison, Wisconsin, USA

    J.J. de Pablo

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  1. M. Müller
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Editors and Affiliations

  1. Dipartimento di Fisica, Università di Modena e Reggio Emilia, Via Campi, 213/A, 41100, Modena, Italy

    Mauro Ferrario Professor

  2. Dipartimento di Fisica, INFN, Università di Roma La Sapienza, Piazzale Aldo Moro 2, 00185, Roma, Italy

    Giovanni Ciccotti Professor

  3. Institut für Physik, Universität Mainz, Staudinger Weg 7, 55128, Mainz, Germany

    Kurt Binder Professor

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Müller, M., de Pablo, J. (2006). Simulation Techniques for Calculating Free Energies. In: Ferrario, M., Ciccotti, G., Binder, K. (eds) Computer Simulations in Condensed Matter Systems: From Materials to Chemical Biology Volume 1. Lecture Notes in Physics, vol 703. Springer, Berlin, Heidelberg. https://doi.org/10.1007/3-540-35273-2_3

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