PHYS 466/MSE 485/CSE 485 Atomic Scale Simulation
Class, University of Illinois Urbana Champaign, Physics Department, 2018
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