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Parallel Session D: Ab Initio/Atomic Physics

Time Wednesday
23rd of June
24th of June
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
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