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Free energy of solids & Einstein crystal

  1. Oct 11, 2008 #1
    Dear all,


    I'm coding the calculation of the free energy of an SiO2 crystal structure Using a 2-body Buckingham potential. I'm attempting to use the method of Frenkel and Ladd wich consist in transform your solid reversibly into an Einstein crystal.
    I've read the excellent book "Understanding Molecular Simulation" of Frenkel & Smit but I need explanations from other sources since many aspect of the method/algorithm remain unclear.
    So I'm asking whether one of you knows a good course on this subject.
    Examples are also welcome.
    Thanks in advance,
    Best,

    Eric.
     
  2. jcsd
  3. Oct 6, 2009 #2
    Got it.
     
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