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Day 1 - October, 6th 2008

Monday

• 10:00 to 10:15 - Welcome
• 10:15 to 11:15 - Etienne Balan
  
  Infrared spectroscopy of minerals from first-principles
• 11:15 to 11:45 - Coffee Break
• 11:45 to 12:45 - Roberto Dovesi
  
  Quantum mechanical simulation of the vibrational properties of crystalline solids, and interpretation of modes. The case of garnets and related minerals.
• 12:45 to 14:00 - Lunch Break
• 14:00 to 15:00 - Bjoern Winkler
  
  Structure and dynamics of hydrogen bonds in minerals by diffraction, inelastic x-ray spectroscoy and parameter-free model calculations
• 15:00 to 16:00 - Michael Krisch
  
  Lattice dynamics studies with inelastic x-ray scattering
• 16:00 to 16:30 - Coffee Break
• 16:30 to 17:30 - Alexei Bossak
  
  Novel applications of X-ray inelastic scattering in phonon spectroscopy

Day 2 - October, 7th 2008

Tuesday

• 09:00 to 10:00 - Razvan Caracas
  
  Raman spectra of minerals from first-principles calculations
• 10:00 to 11:00 - Renata Wentzcovitch
  
  First principles quasiharmonic calculations of minerals and their applications to the Earth’s mantle
• 11:00 to 11:30 - Coffee Break
• 11:30 to 12:30 - Paola Comodi
  
  The HP-HT mineral physics of hydrous minerals: experimental vs theoretical tools
• 12:30 to 14:00 - Lunch Break
• 14:00 to 15:00 - Sandro Scandolo
  
  SiO2 and CO2 at high pressures: differences and similarities, also from spectroscopy
• 15:00 to 15:30 - Luigi Giacomazzi
  
  Vibrational spectra of vitreous SiO_2 and vitreous GeO_2 from first-principles
• 15:30 to 16:00 - Michele Warren
  
  Spectroscopy at the Diamond synchrotron
• 16:00 to 16:30 - Coffee Break
• 16:30 to 17:30 - Eiken Haussuehl
  
  Ultrasound measurements as a sensitive probe for elastic properties of solids

Day 3 - October, 8th 2008

Wednesday

• 09:00 to 10:00 - Anne-Christine Uldry
  
  Magnetic properties of ferritic alloys by first-principle calculations and X-ray measurements
• 10:00 to 11:00 - Victor Vinograd
  
  Simulations of order/disorder transitions in minerals
• 11:00 to 11:30 - Coffee Break
• 11:30 to 12:30 - Peter Blaha
  
  Electronic structure and spectroscopy with the WIEN2k code
• 12:30 to 14:00 - Lunch Break
• 14:00 to 15:00 - Michael Fechtelkord
  
  Solid State NMR Spectroscopy as Supporting Method in Mineral- and Geoscience - Examples where theory could help
• 15:00 to 16:00 - Catherine McCammon
  
  Results from nuclear resonance spectroscopic methods: Where theory and experiment meet (or not).
• 16:00 to 16:30 - Coffee Break
• 16:30 to 17:00

Day 4 - October, 9th 2008

Thursday

• 09:00 to 10:00 - Stefano de Gironcoli
  
  Going beyond LDA and GC XC functionals in Quantum-ESPRESSO
• 10:00 to 11:00 - Andras Stirling
  
  Spectroscopies on pyrite
• 11:00 to 11:30 - Coffee Break
• 11:30 to 12:30 - Discussion
• 12:30 to 13:00 - Closing word