Physik (Master) Sommersemester 2010
06348 Computational Physics and Materials Science [V]
Dozent Chioncel L.
Dauer 4 SWS
Studiensemester 0
Schein Ja (Mündl.Prüfung; 8 LP)
Termin Di, 14:00-15:30 u. Do, 14:00-15:30, 288/Süd
Inhalt 1. Introduction, Basic computer hardware, operating system, applications and programing languages, short introduction to Linux
2. Data visualization tools, 2-D graphs, within Java, grace, xmgrace, gnuplot for 2D and 3D plots
3. Basic numerical methods: Interpolation, differentiation, integration, roots of an equation, extremes of a function
4. Ordinary Differential equations: Euler method, predictor-corrector methods, Runge-Kutta
5. Basic Matrix operations, linear equations systems, eigen-value problems
6. Fourier Analysis, discrete and fast Fourier transform, Fourier transform in higher dimensions
7. Partial differential equations, initial value problems, boundary value problems
8. Molecular dynamics simulations, Verlet algorithm, structure of atomic clusters, structure and dynamics of real materials, ab-initio molecular dynamics
9. Monte-Carlo simulations, sampling and integration, Metropolis algorithm, critical slow down and block algorithms
10. Variational Quantum Monte Carlo, Green functions Monte Carlo, path integral Monte-Carlo simulations
11. Basics of quantum lattice and impurity models, numerical renormalization: scaling concept, critical phenomena, renormalization with Monte-Carlo
12. Introduction to High performance computing, memory, CPU design, parallel computing
Begleitend 06349
Vorkenntnisse elementare Programmierkenntnisse (Fortran, C/C++)
Literatur 1. T. Pang: An introduction to Computational Physics, Second edition, Cambridge University press, 2006
2. S. E. Koonin and D. C. Meredith: Computational Physics, Addison-Wesley Publishing Company, Inc. 1990