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Molecular Simulation

  1. Feb 16, 2008 #1
    Hey all, I'm looking for some suggestions on topics concerning Molecular Simulation which I can research. I've been tasked with giving a talk and writing a report on one specific topic of this field but I'm unsure what to specialise in. Any and all advise and suggestions would be appreciated!!
     
  2. jcsd
  3. Feb 16, 2008 #2

    olgranpappy

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    you could give a report on quantum chemistry codes for calculating the electronic structure of molecules. E.g., ABINIT, with which you can calculate stuff like the equilibrium bond lengths in molecules. see:

    http://www.abinit.org/
     
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