Molecular Dynamics


Perturbation Theory

Random Numbers

Monte Carlo

Quantum Monte Carlo

Continuous Time QMC

Dynamical Mean Field


Density functional theory

Molecular Dynamics

  • Lecture notes in pdf format
  • The molecular dynamics code for argon atoms:

  • md0 The first part treats finite system of agron atoms interacting with Lenard Jones potential.
  • md1 The second part adds periodic boundary conditions to simulate an infinite system
  • md2 Finally md3 optimizes the code by Verlet trick.