| 14:00 - 15:00 | Registration | |
| 15:00 - 15:15 | Opening remarks | |
| 15:15 - 16:45 | L1 | M. Scheffler:
Present status of ab initio electronic structure calculations Download: Lecture notes (PDF) |
| 16:45 | Coffee | |
| 17:15 - 18:30 | L2 | P. Kratzer:
A fast guide to density-functional calculations Download: Lecture notes (PDF) |
| 18:30 | Reception and get-together |
Tuesday, 24 July: Pseudopotentials
| 9:00 - 10:15 | L3 | E. Pehlke:
The plane-wave pseudopotential method Download: Lecture notes (PDF) |
| 10:15 | Coffee | |
| 10:45 - 12:00 | L4 | M. Fuchs:
Pseudopotentials for ab initio electronic structure calculations Download: Lecture notes (PDF) |
| 12:15 | Lunch | |
| 14:00 - 14:30 | D1 | E. Penev:
Constructing pseudopotentials with the program fhi98PP |
| 14:30 - 18:00 | E1 | Practical session |
| 18:30 | Dinner |
Wednesday, 25 July: Methodic aspects
| 9:00 - 10:15 | L5 | J. Neugebauer:
Algorithms for total energy minimisation Download: Lecture notes (PDF) |
| 10:15 | Coffee | |
| 10:45 - 12:00 | L6 | M. Fuchs:
Exchange-correlation energy: from LDA to GGA and beyond |
| 12:15 | Lunch | |
| 14:00 - 14:30 | D2 | S. Boeck:
Calculation of bulk properties |
| 14:30 - 18:00 | E2 | Practical session |
| 18:30 | Dinner |
Thursday, 26 July: Condensed-Matter Physics
| 9:00 - 10:15 | L7 | P. Kratzer:
Prerequisites for reliable modelling with first-principles methods Download: Lecture notes (PDF) |
| 10:15 - 11:00 | Poster parade part I | |
| 11:00 | Coffee | |
| 11:30 - 12:30 | Poster parade part II | |
| 12:45 | Lunch | |
| 14:00 - 14:30 | D3 | S. M. Lee:
Bulk band-structure calculations |
| 14:30 - 18:00 | E3 | Practical session |
| 18:30 | Poster session (contributions by participants) |
Friday, 27 July: Surface Physics and Chemistry
| 9:00 - 10:15 | L8 | E. Pehlke:
Surface structure and chemisorption Download: Lecture notes (PDF) |
| 10:15 | Coffee | |
| 10:45 - 12:00 | L9 | C. Stampfl:
Adsorption at, desorption from, and chemical activity of metal surfaces Download: Lecture notes (PDF) |
| 12:00 - 12:30 | M. Scheffler:
The Fritz-Haber-Institut and the historic Dahlem district Download: Lecture notes (PDF) |
|
| 12:45 | Lunch | |
| 14:00 - 14:30 | D4 | M. Hedström:
Surface relaxation and band structures |
| 14:30 - 18:00 | E4 | Practical session |
| 18:30 | Dinner |
Saturday, 28 July: Excursion
Monday, 30 July: Molecular Dynamics
| 9:00 - 10:15 | L10 | J. Neugebauer:
Thermodynamics, charged states and chemical potentials Download: Lecture notes (PDF) |
| 10:15 | Coffee | |
| 10:45 - 12:00 | L11 | M. Bockstedte:
First-principles molecular dynamics Download: Lecture notes (PDF) |
| 12:15 | Lunch | |
| 14:00 - 14:30 | D5 | J. Ireta:
Molecular Dynamics |
| 14:30 - 18:00 | E5 | Practical session |
| 18:30 | Dinner |
Tuesday, 31 July: Excited States
| 9:00 - 10:15 | L12 | A. Schindlmayr:
Quasiparticle band structures and the GW approximation Download: Lecture notes (PDF) |
| 10:15 | Coffee | |
| 10:45 - 12:00 | L13 | K. Tatarczyk:
Time-dependent density-functional theory Download: Lecture notes (PDF) |
| 12:15 | Lunch | |
| 14:00 - 14:30 | D6 | P. Eggert:
Quasiparticle band structures in the GW approximation |
| 14:30 - 18:00 | E6 | Practical session |
| 18:30 | Dinner |
Wednesday, 1 August: Engineering and Biology
| 9:00 - 10:15 | L14 | J. Dabrowski:
Challenges in predictive process simulations Download: Lecture notes (PDF) |
| 10:15 | Coffee | |
| 10:45 - 12:00 | L15 | J. Ireta:
Structural analysis of biological systems Download: Lecture notes (PDF) |
| 12:15 | Lunch |