CCP2010 header image N T N U

Parallel Session B: Computational Materials Science

Time Wednesday
23rd of June
24th of June
25th of June
  Parallel Session B1
14:40 - 16:10
Auditorium R9
Chair Christian Thaulow
Parallel Session B3
14:40 - 16:10
Auditorium R9
Chair Udo Schwingenschlögl

14:40-15:55 Diana Farkas
(Invited speaker)

Molecular Dynamics simulations of mechanical response
Helena van Swygenhoven
(Invited speaker)

Deformation mechanism in nanocrystalline metals
no entries
15:10-15:25 Søren Toxvaerd
A Molecular Dynamic investigation of the stability of supercooled nanodroplets
Elisa Londero
Vanadium pentoxide: a van der Waals density functional study

Jochen Rohrer
Ab initio thermodynamics of deposition growth: chemical composition of TiC/alumina

Sunita Negi
Molecular Dynamics Simulations of a carbon nanotube based motor stimulated by an externally applied sinusoidally varying electric field
15:40-15:55 Davide Donadio
Molecular dynamics simulations of thermal transport in thin silicon nanowires
Prasenjit Ghosh
Computational Approaches to Charge Transfer Excitations in a ZnTPP-C70 complex
15:55-16:10 Sergiy Zamulko
Some Diffusion Problems In New Statement's
Shoji Ishibashi
First-principles calculation of polarizability in (LaAlO3)n/(SrTiO3)n (n = 1-5) superlattices
16:10-16:30 Coffee Break Coffee Break Coffee Break

Parallel Session B2
16:30 - 18:30
Auditorium R9
Chair Diana Farkas




Anna Oleshkevych
Modeling of Oxide Growth Processes on the Surface during the Diffusion in Thin Films in Conditions of "Oxygen Pump" Action



Øyvind Borck
Adsorption of CO on Ni3Al(111): A combined theoretical and experimental study



Kenate Nemera Nigussa
Theoretical investigation of the interaction of oxygen with pure and K-doped NiTi shape memory alloys.



Xizhong An
DEM Simulation on Crystallization of Monosized Spheres under Mechanical Vibrations



Kristian Berland
Crystals of cage-like molecules: A van der Waals density functional study



David Quigley
Toward Simulation of Polymorph Selection in Minerals and Molecular Crystals



Udo Schwingenschlogl
Self-doping Effects at a 45¬į Grain Boundary in YBa2Cu3O7


Prajakta Deodhar
Transferable Orthogonal Tight Binding Parameters for CdS, CdSe and CdTe
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