Materialwiss. Master Sommersemester 2010
06451 Theoretical Concepts and Simulation [PV]
Dozent Schuster C., Schenk S.
Dauer 4 SWS
Studiensemester 0
Schein Ja (Klausur; 6 LP)
Termin Di, 12:15-13:45 u. Do, 12:15-13:45, 1003/T
Inhalt The lecture will cover the following subjects:

  1. Thermodynamics and Statistical Physics:
    First, second and third law of thermodynamics, Thermodynamic potentials, Maxwell relations, Classical statistical mechanics
  2. Molecular Dynamics:
    Molecular dynamics at constant energy -- Verlet algorithm, Simulating Lennard-Jones particles
  3. Monte Carlo Simulations:
    Random number generators, Monte Carlo integration, Importance sampling through Markov chains, Simulation of classical liquids (Metropolis algorithm)
  4. Transport theory, partial differential equations:
    Initial value problems (time dependent Schrödinger equation, diffusion equation), Boundary value problems, Finite element method
Vorkenntnisse Theoretical physics I and II, numerical procedures