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Day 1 - July, 22nd 2008

• 18:30 to 19:00 - Registration

Day 2 - July, 23rd 2008

• 09:00 to 09:30 - Welcome
• 09:30 to 10:15 - Christian Schoen
  
  Prediction of solid compounds and phase diagrams via global exploration of energy landscapes and construction of free energy landscapes - a methodological overview
• 10:15 to 10:45 - Coffee Break
• 10:45 to 11:15 - David Earl
  
  Monte Carlo Approach to Generate Hypothetical Zeolite Topologies
• 11:15 to 11:45 - Gareth Tribello
  
  Hypothetical Clathrate Materials
• 11:45 to 12:15 - Robert G. Bell
  
  Exploring the energy landscapes of tetrahedral materials beyond silica
• 12:15 to 13:00 - Discussion
• 13:00 to 14:30 - Lunch Break
• 14:30 to 15:00 - Geoffroy Hautier
  
  A statistical learning approach to crystal structure prediction
• 15:00 to 15:30 - Mohamed Hebbache
  
  A DFT simulation of new hard materials : hypothetical polymorphs and binary compounds of osmium
• 15:30 to 16:00 - Discussion
• 16:00 to 16:30 - Coffee Break
• 16:30 to 17:00 - Edwin Flikkema
  
  Energy landscapes and thermodynamics of bulk mixed oxide materials.
• 17:00 to 17:30 - Neil Allan
  
  Understanding oxides - novel structures and unusual order
• 17:30 to 18:00 - Discussion

Day 3 - July, 24th 2008

• 09:15 to 10:00 - Richard Dronskowski
  
  Complex Nitrogen-Based Solids by Quantum-Chemical and Synthetic Approaches
• 10:00 to 10:30 - Coffee Break
• 10:30 to 11:00 - Klaus Doll
  
  Global exploration of the energy landscape of solids on the ab initio level
• 11:00 to 11:30 - Jose Miguel Mora Fonz
  
  The pre-nucleation of zeolites
• 11:30 to 12:00 - Stefan T. Bromley
  
  Prediction of stable low-density polymorphs and nanostructures of oxides and chalcogenides based upon “magic” nanocluster assembly
• 12:00 to 12:45 - Discussion
• 12:45 to 14:30 - Lunch Break
• 14:30 to 15:00 - Roman Martonak
  
  Exploration of free-energy landscapes of crystals by metadynamics - study of polymorphism and structural transformations
• 15:00 to 15:30 - Stefano Leoni
  
  Caressing the rough paths of reconstructive phase transitions with the glove of topology
• 15:30 to 16:00 - Discussion
• 16:00 to 16:30 - Coffee Break
• 16:30 to 17:00 - Marek Sierka
  
  Ab Initio Genetic Algorithm for Structure Determination of Surfaces and Gas Phase Clusters
• 17:00 to 17:30 - Roy Johnston
  
  Visualising, Analysing and Exploring Cluster Energy Landscapes
• 17:30 to 18:00 - Discussion

Day 4 - July, 25th 2008

• 09:15 to 09:45 - Laurent Cario
  
  Structure prediction of inorganic compounds using 2D Secondary Building Units
• 09:45 to 10:15 - Armel Le Bail
  
  The PCOD and P2D2 databases (P for Predicted)
• 10:15 to 10:45 - Coffee Break
• 10:45 to 11:15 - Eva Zurek
  
  Density Functional Studies of Na-Be Alloys Under High Pressure
• 11:15 to 11:45 - Amarante Böttger
  
  Computational design of membranes for hydrogen gas separation
• 11:45 to 12:15 - Discussion
• 12:15 to 12:30 - Closing word