# 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