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Day 1 - September, 10th 2008

• 13:30 to 14:00 - Welcome
• 13:50 to 14:00 - Registration

• 14:00 to 14:45 - Jose Richard Gomes
  
  Molecular Structure and Energetics of Neutral and Anionic Silicates
• 14:45 to 15:30 - Thanh Thuat Trinh
  
  Catalytic role of organic compound in silica oligomerization
• 15:30 to 16:00 - Coffee Break
• 16:00 to 16:45 - Christel GERVAIS
  
  Combined ab-initio computational and experimental multinuclear solidstate NMR study of a silica mesophase and an amorphous silica surface
• 16:45 to 17:30 - Tzonka Mineva
  
  DFT-Based Conformational Analysis and Dynamics of a Phospholipid Molecule (DMPC)

Discussion

Day 2 - September, 11th 2008

• 09:00 to 09:45 - Miguel Jorge
  
  Molecular Simulation of the Early Stages of the Synthesis of Periodic Mesoporous Silica
• 09:45 to 10:30 - Ferreiro Carlos
  
  kMC Simulations of the Synthesis of Mesoporous Silica MCM-41 and SBA-2 Realistic Pores
• 10:30 to 11:00 - Coffee Break
• 11:00 to 11:45 - Henry Bock
  
  Surfactant Self-Assembly for the Bottom-Up Design of Carbon Nanotube Membranes
• 11:45 to 12:30 - Michael W. Deem
  
  The Monte Carlo Sampling Approach to Construction of a Database of Hypothetical Zeolite Frameworks

• 12:30 to 14:30 - Lunch Break

• 14:30 to 15:15 - Alessandro Patti
  
  Modeling the synthesis of amino-functionalized mesoporous materials by Monte Carlo
• 15:15 to 16:00 - Doug Cleaver
  
  Simulation, characterisation and analysis of cubic phases
• 16:00 to 16:30 - Coffee Break
• 16:30 to 17:30 - Peter Monson
  
  Modeling Formation of Nanoparticles in Clear-Solution Silicalite Synthesis

• 17:30 to 18:00 - Discussion
• 20:00 to 22:00 - Dinner

Day 3 - September, 12th 2008

• 09:00 to 09:45 - Flor Siperstein
  
  Dynamics of formation of ordered mesoporous materials
• 09:45 to 10:30 - Benoit Coasne
  
  Development of realistic models of MCM-41 materials for gas adsorption studies
• 10:30 to 11:00 - Coffee Break
• 11:00 to 11:45 - Alexander Neimark
  
  Molecular Models for Adsorption and XRD Characterization of Templated Porous Materials
• 11:45 to 12:30 - Carlos Rodriguez
  
  From self-aggregation to nanostructured solids

• 12:30 to 14:15 - Lunch Break