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Lecture Notes on: Free-Energy Calculations

  • D. Frenkel
Chapter
Part of the NATO ASI Series book 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.

Keywords

Free Energy Partition Function Helmholtz Free Energy Potential Energy Function Chain Molecule 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© Springer Science+Business Media Dordrecht 1991

Authors and Affiliations

  • D. Frenkel
    • 1
  1. 1.FOM Institute for Atomic and Molecular PhysicsAmsterdamThe Netherlands

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