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Day 1 - June, 8th 2009

Morning session

• 08:45 to 09:00 - Registration
• 09:00 to 09:40 - Chris G. Van de Walle
  
  Advances in Electronic Structure Methods for Defects and Impurities
• 09:40 to 10:20 - James Chelikowsky
  
  Quantum algorithms for modeling the properties of defects in nanocrystals and nanowires
• 10:20 to 10:50 - Coffee Break
• 10:50 to 11:30 - Georg Kresse
  
  Hybrid functionals and GW applied to complex materials
• 11:30 to 12:10 - Anderson Janotti
  
  LDA+U and hybrid functionals applied to the study of defects in oxide and nitride semiconductors
• 12:10 to 12:50 - Gianfranco Pacchioni
  
  Reduced and doped TiO2: what is the nature of the defect states?

Lunch

• 12:50 to 14:20 - Lunch Break

Afternoon session

• 14:20 to 15:00 - Gustavo Scuseria
  
  Progress on screened, multi- and local-range separated hybrids in DFT
• 15:00 to 15:40 - Peter Deák
  
  Accurate defect levels in Group IV semiconductors by the HSE06 functional in supercells
• 15:40 to 16:10 - Coffee Break
• 16:10 to 16:50 - Audrius Alkauskas
  
  The “band-gap problem” vs. the “band-edge problem” in theoretical calculations of defect levels
• 16:50 to 17:30 - Patrick Briddon
  
  Modelling thousands of atoms using Kohn-Sham density functional theory.

Poster session

• 17:30 to 19:30 - Poster Session

Day 2 - June, 9th 2009

Morning session

• 09:00 to 09:40 - John Robertson
  
  Defect calculations using the screened exchange hybrid functional
• 09:40 to 10:20 - Shengbai Zhang
  
  Hybrid Functional Calculations of Jahn-Teller Defects
• 10:20 to 10:50 - Coffee Break
• 10:50 to 11:30 - Peter Broqvist
  
  Hybrid functional calculations of defects in high-k dielectrics and at semiconductor-oxide interfaces
• 11:30 to 12:10 - Steven Erwin
  
  Understanding doping in semiconductor nanocrystals
• 12:10 to 12:50 - Su-Huai Wei
  
  Overcoming the doping asymmetry problem in wide gap semiconductors

Lunch

• 12:50 to 14:20 - Lunch Break

Afternoon session

• 14:20 to 15:00 - Christoph Freysoldt
  
  Fully ab initio supercell corrections for charged defects
• 15:00 to 15:40 - Stephan Lany
  
  Predicting p-orbital hole-polarons in DFT supercell calculations
• 15:40 to 16:10 - Alfredo Pasquarello
  
  Hybrid-functional calculations with plane-wave basis sets: The effect of the integrable divergence on total energies, energy eigenvalues, and defect energy levels
• 16:10 to 16:40 - Coffee Break
• 16:40 to 17:20 - Michael Rohlfing
  
  Excited states of defects in solids
• 17:20 to 18:00 - Walter R. L. Lambrecht
  
  Unsolved problems with point defect calculations

Day 3 - June, 10th 2009

Morning session

• 09:00 to 09:40 - Jörg Neugebauer
  
  Computing free energy contributions of point defects
• 09:40 to 10:20 - Richard Hennig
  
  Quantum Monte Carlo calculations for point defects in silicon
• 10:20 to 10:50 - Coffee Break

GW session

• 10:50 to 11:30 - Michel Bockstedte
  
  The merits of DFT-LDA and beyond it towards excited states: a perspective from defects in SiC
• 11:30 to 12:10 - Patrick Rinke
  
  Defect Formation Energies without the Band Gap Problem: Combining DFT and GW

Lunch

• 12:10 to 13:40 - Lunch Break

GW session (continued)

• 13:40 to 14:20 - Gian-Marco Rignanese
  
  A Many-Body Perturbation Theory perspective to defects in microelectronic devices and materials
• 14:20 to 15:00 - Paolo Umari
  
  GW quasi-particle spectra from occupied states only
• 15:00 to 15:40 - Layla Martin-Samos
  
  SiO2 DFT and beyond
• 15:40 to 16:20 - Ricardo Gomez Abal
  
  The f-electron challenge: localized and itinerant states in lanthanide oxides united by GW@LDA+U