Part 1: Ab initio electronic structure calculations
- From many-body Hamiltonian to The Density Functional Theory
- Pseudopotential vs. Full-potential approach: Implementation of the DFT
- Applications I: Ground state properties and electronic structure
- Applications II: Elasticity and Thermal properties
Part 2: Monte Carlo Simulationen in der Materialphysik
- State of the Art
- Simple Sampling
- Important Sampling - Detailed Balance and the Metropolis Algorithm
- The Ising Model
- Examples: order-disorder transitions and diffusion in intermetallic alloys
Vortragende/r:
M.A. Hartmann
D. Holec
A. Reyes-Huamantinco
MUonline:
Link