PHYS 466 Atomic Scale Simulation

Story

Frank Wilczek says analytic theory is extremely limited. Modified Turing-Church Thesis suggests computation is super powerful.

Core Concepts

  1. Statistics
    1. Variance
    2. Correlation
  2. Molecular Dynamics
    1. Pair Potential
    2. Integrator
    3. Thermostat
  3. Monte Carlo
    1. Markov Chain
    2. Detailed Balance
    3. Metropolis Algorithm
  4. Stochastic Integration

Programming

  1. Cross-Platform Compilation (cmake)
  2. Debugging and Profiling (gdb, valgrind, gprof)

Final Project

Stability of Ice between Graphene Sheets