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Day 1 - May, 26th 2008

Session 1: High Accuracy for Exchange and Correlation (I)

• 12:00 to 14:00 - Welcome
• 14:00 to 14:45 - Kenneth Jordan
  
  Case studies of systems with strong electron correlation effects
• 14:45 to 15:30 - Karsten Reuter
  
  Towards an exact treatment of exchange and correlation in materials
• 15:30 to 16:00 - Coffee Break

Session 2: Periodic Hartree-Fock and post-Hartree-Fock

• 16:00 to 16:45 - Roberto Dovesi
  
  Quantum mechanical simulation of the vibrational properties of crystalline solids, and interpretation of modes. The case of garnets and related minerals.
• 16:45 to 17:30 - Martin Schuetz
  
  Local correlation methods for periodic systems

Day 2 - May, 27th 2008

Session 3: High accuracy for exchange and correlation (II)

• 09:00 to 09:45 - Gustavo Scuseria
  
  Non-local exact exchange: range separation, hybridization and local variants
• 09:45 to 10:30 - Ali Alavi
  
  Electron correlation via path-counting: from molecules to metals
• 10:30 to 11:00 - Coffee Break

Session 4: Incremental hierarchical, Fragment Molecular Orbital (I)

• 11:00 to 11:45 - Beate Paulus
  
  Explicitly correlated ab initio methods for metals
• 11:45 to 12:30 - Yuji Mochizuki
  
  Recent progress in the Fragment Molecular Orbital method
• 12:30 to 14:00 - Lunch Break

Session 5: High accuracy for exchange and correlation (III)

• 14:00 to 14:45 - Joachim Sauer
  
  Accurate energetics of transition structures and intermediates by hybrid MP2:DFT and DFT+Disp calculations
• 14:45 to 15:30 - Peter Fulde
  
  Strongly correlated electrons treated by quantum chemical methods
• 15:30 to 16:00 - Coffee Break

Session 6: Embedding and excited states (I)

• 16:00 to 16:45 - Luis Seijo
  
  Embedded cluster calculations on excited local states of lanthanide and actinide ions in solids
• 16:45 to 17:30 - Patrick Huang
  
  Embedded configuration interaction theory for solids: Application to strongly correlated adsorbates on metal surfaces
• 17:30 to 19:00

Day 3 - May, 28th 2008

Session 7: Surface Science

• 09:00 to 09:45 - Gianfranco Pacchioni
  
  Electronic structure of insulating oxides and their surfaces: Are hybrid DFT functionals the right solution
• 09:45 to 10:30 - Thorsten Kluener
  
  Accurate energetics of ground and excited states of molecules on surfaces
• 10:30 to 11:00 - Coffee Break

Session 8: Incremental, hierarchical, Fragment Molecular Orbital (II)

• 11:00 to 11:45 - Joachim Friedrich
  
  Using symmetry in the framework of the incremental scheme: Applications to molecular and periodic systems
• 11:45 to 12:30 - Fred Manby
  
  Cluster-based ab initio treatments of electron correlation in solids
• 12:30 to 14:00 - Lunch Break

Session 9: Embedding and excited states (II)

• 14:00 to 14:45 - Liviu Hozoi
  
  Wavefunction based methods for excited states in solids: Correlation-induced corrections to the band structure of ionic oxides
• 14:45 to 15:30 - Lev Kantorovich
  
  Quantum-mechanical embedding based on system partitioning: some ideas
• 15:30 to 16:00 - Coffee Break

Session 10: Periodic Hartree-Fock and post-Hartree-Fock (II)

• 16:00 to 16:45 - Georg Kresse
  
  Hartree Fock, MP2 and AC-FDT using the PAW method
• 16:45 to 17:30 - Cesare Pisani
  
  Ab initio post-HF estimates of vibrational frequencies in crystalline systems

19:30 workshop dinner

Day 4 - May, 29th 2008

Session 11: Embedding and excited states (III)

• 09:00 to 09:45 - Igor Abarenkov
  
  On the embedding potential method in the condensed-matter electronic-structure theory
• 09:45 to 10:30 - Peter Sushko
  
  An embedded cluster scheme for calculating defects and defect processes in wide-band-gap materials
• 10:30 to 11:00 - Coffee Break

Session 12: Periodic Hartree-Fock and post-Hartree-Fock (III)

• 11:00 to 11:45 - Joost VandeVondele
  
  Exact exchange for ab initio molecular dynamics in the Quickstep code
• 11:45 to 12:30 - Discussion