CCP2010 header image N T N U
 

Parallel Session B: Computational Materials Science

Time Wednesday
23rd of June
Thursday
24th of June
Friday
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
14:55-15:10
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
 
15:25-15:40

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

   

16:30-16:45

 

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

16:45-17:00

 

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

17:00-17:15

 

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

17:15-17:30

 

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

17:30-17:45

 

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

17:45-18:00

 

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

18:00-18:15

 

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

18:15-18:30

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

 

 
Webmaster: Kjell T. Næsgaard    kjelltn@ntnu.no