ASCS2006 School Program

Registration is scheduled on Sunday, September 17th at 14.00
at the Montvale's Atrium

 

Sunday 17th Montvale's Atrium
   
14.00 - 16.00 Registration
   
18.00 Welcome Party

 

Morning Sessions - Center Stage

  Monday 18th Tuesday 19th Wednesday 20th Thursday 21st Friday 22nd
8.15 Opening remarks (Perger)        
8.30 - 9.25 Translation symmetry, point symmetry and space groups

Catti

The structure of the CRYSTAL code

Orlando

Calculation of vibrational frequencies and tools for their analysis

Noel

Liquidity and crystallinity

Ashcroft

Higher superconductivity in the lower elements

Ashcroft

9.25 - 10.20 Bloch functions, crystalline orbitals and Fermi energy

Orlando

Total energy and related quantities

Civalleri

Thermodynamics of crystalline systems

Catti

Local defects in crystalline materials

Corà

Piezoelectric and elastic tensors

Catti

  Coffee Break Coffee Break Coffee Break Coffee Break Coffee Break
10.40 - 11.35 Basis sets and Hamiltonians

Mattsson

Strategies in geometry optimization of solids

Zicovich

Spin polarized solution

Orlando

Surface and catalysis

Zicovich

Localized crystalline orbitals and related quantities

Zicovich

11.35 - 12.30 Introduction to the tutorial sessions. CRYSTAL06 input/output

Civalleri

One-electron properties

Corà

Ab initio modeling of zeolites

Civalleri

Molecular crystals

Perger

Post-HF techniques

Casassa

 

Afternoon Sessions - Center Stage

  Monday 4th Tuesday 5th Wednesday 6th Thursday 7th Friday 8th
14.00 - 15.45 Geometry input, geometry editing, visualization tools Geometry optimisation 12.30 - ...
Tour of WSU's Institute for Shock Physics (Pullman)
Vibrational frequencies CRYSCOR
  Break Break   Break Break
16.00 - 17.30 Single-point calculation  One-electron properties

The experimental connection

Y.M. Gupta

15.45 - ...

Poster session

Free hands-on tutorials
         

 Social bar (18.30)

19.00        

 Social Dinner