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Update Session 4 - Monte Carlo of an LJ fluid #4

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summeraz opened this issue Jun 18, 2018 · 0 comments
Open

Update Session 4 - Monte Carlo of an LJ fluid #4

summeraz opened this issue Jun 18, 2018 · 0 comments

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@summeraz
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Here we will perform simple MC simulations of a Lennard-Jones fluid, and possible also introduce RDFs?

  • Walk students through Python code to perform Monte Carlo
    • We will be using a Python wrapper around C++ code for the actual simulations, but can show the students what pure Python code would look like
  • Perform simulations varying parameters (e.g. temperature, LJ parameters, target acceptance probability)
    • View trajectories, how do the various parameters effect how the system looks
  • Introduction to radial distribution functions
    • What are RDFs, what do they tell us/when are they useful?
    • Using VMD to calculate RDFs
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