Programme
- Module 1 : Introduction to simulation methods and basic concepts in solid state physics
Lecturer : Dr. Hande Ustunel
Institution : Department of Physics, Middle East Technical University, Ankara
Dates : 29-31 January (twelve hours)
Topics to be covered :
- Basic concepts in solid state physics
- Crystal structures, periodicity, Brillioun zone, reciprocal space
- Band structures
- Density of states
- Simulation methods used in solid state physics
- Tight-binding
- Density functional theory
- Static relaxation
- Molecular dynamics
- Basic Monte Carlo methods
- Examples from literature
- Module 2 : Empirical potential energy functions and their applications
Lecturer : Prof. Dr. Sakir Erkoc
Institution : Department of Physics, Middle East Technical University, Ankara
Dates : 30 January-1 February (10 hours)
Topics to be covered :
- Derivation of potential energy functions
- Parametrization
- Applications
- Bulk
- Surface
- Nanoparticles
- Molecules
- Module 3 : Density functional theory in action: examples and applications of
computational surface science
Lecturer : Dr. Stefano Fabris
Institution : INFM-CNR DEMOCRITOS Theory@Elettra group and
SISSA Scuola Internazionale, Trieste, Italy
Dates : 2-4 February (10 hours)
Topics to be covered :
- Basic surface properties (e.g. calculation of surface energy)
- Non-trivial cases (e.g. polar surfaces)
- More advanced surface phenomena (e.g. surface core-level shifts, simple surface reactions)
- Module 4 : Application of various simulation techniques to nanotubes and nanowires
Lecturer : Dr. Hande Ustunel
Institution : Department of Physics, Middle East Technical University, Ankara
Dates : 3-5 (10 hours)
Topics to be covered :
- Introduction to the electronic structure of one-dimensional systems
- Electronic and structural properties of nanotubes
- Electronic and structural properties of nanowires
- Current issues related to nanotubes and nanowires
- Adsorption
- Magnetic properties
- Conduction properties
- Vibrational properies