Simulation Techniques for Calculating Free Energies

  • M. Müller
  • J.J. de Pablo
Part of the Lecture Notes in Physics book series (LNP, volume 703)


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.


Free Energy Diblock Copolymer Phase Coexistence Excess Free Energy Free Energy Barrier 
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Copyright information

© Springer 2006

Authors and Affiliations

  • M. Müller
    • 1
  • J.J. de Pablo
    • 2
  1. 1.Institut für Theoretische PhysikGeorg-August- UniversitätGöttingenGermany
  2. 2.Department of Chemical and Biological EngineeringUniversity of Wisconsin-MadisonMadisonUSA

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