PHYS 466/MSE 485/CSE 485 Atomic Scale Simulation

Class, University of Illinois Urbana Champaign, Physics Department, 1900

I was the lone TA for this class. I reworked many HW problems and made the solutions. I also gave a replacement lecture.

Classical Molecular Dynamics of Lennard-Jones Fluid

  • statistical analysis: auto-correlation and standard error
  • energy-conserving integrator: velocity Verlet
  • correlation functions: g(r), S(k), v(t)v(0)

Classical Monte Carlo of Lennard-Jones Fluid

  • detailed balance
  • force-biased Monte Carlo

Classical Monte Carlo of 2D Ising Model

  • heat bath algorithm
  • cluster moves