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Parallel Session D: Ab Initio/Atomic Physics

Time Wednesday
23rd of June
Thursday
24th of June
Friday
25th of June
  Parallel Session D1
14:40 - 16:10
Parallel Session D3
14:40 - 16:10
Auditorium R5
Chair Carlo M. Bertoni
Parallel Session D4
14:40 - 16:10
Auditorium R5
Chair Miguel Morales
14:40-15:55 no entries Miguel Morales
(Invited speaker)

Liquid-Liquid Phase Transition in High Pressure Hydrogen from Ab-Initio Simulations
 
Jiri Houska
How advanced calculations support material research: modelling of structures and properties of novel functional materials
 
14:55-15:10 Carlo M. Bertoni
Ab-Initio Calculation of Shear Strength of Diamond Interfaces
 
15:10-15:25 Chewa Tassana
The Effect of the Coulomb Repulsion and the Exchange Interaction on Spin Moment of MnO
 
Matthias Degroote
Faddeev Random Phase Approximation for Molecules
 
15:25-15:40 Brecht Verstichel
Variational determination of the second-order density matrix
 
Marco Masia
On the application of the force matching algorithm to parameterize a new potential for polarizable water
 
15:40-15:55 Guillermo Andrés Luduena
Proton Transport Mechanism in Nominally Dry Proton Conductors from Ab-inito Molecular Dynamics Simulations
 
Roberto Scipioni
Proton transport on 1D water chains formed on metallic steps
 
15:55-16:10   Nithaya Chetty
A comparison of various new functionals describing the exchange-correlation interaction as applied to studies of graphene
 
16:10-16:30 Coffee Break Coffee Break Coffee Break
  Parallel Session D2
16:30 - 18:45
   
16:30-16:45 no entries
16:45-17:00
17:00-17:15
17:15-17:30
17:30-17:45
17:45-18:00
18:00-18:15
18:15-18:30
18:30-18:45
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