Fakultät für Physik




Seminar: Selected Topics in Computational Physics – Details


  1. Density functionals: Kohn-Sham equations, local density approximation, helium atom.
  2. Schrödinger equation in periodic materials: Lattices, reciprocal lattices, Bloch theorem, nearly free approximation, tight binding approximation, band structure methods, pseudo-potential methods.
  3. Classical statistical mechanics: Ensembles, molecular systems, lattice models, phase transitions, determination of averages.
  4. Molecular dynamics: Integration methods, long range interactions, nonequilibrium dynamics, Langevin dynamics.
  5. Monte Carlo methods: Monte Carlo integration, importance sampling through Markov chains, ensembles, free energy and chemical potentials.
  6. Quantum Monte Carlo: Variational Monte Carlo method, diffusion Monte Carlo method, path integral Monte Carlo method, quantum Monte Carlo on a lattice.
  7. Lattice field theories: Quantum field theory, interacting fields and renormalization, algorithms for lattice fields, critical slowing down, algorithms for scalar field theories, gauge field theories, lattice QED simulatios.