Time
|
Duration
|
Type
|
Presenting person
|
Title
|
September 15th, Monday |
|
| 14:00 |
00:45:00 |
Invited oral |
Christoph Dellago |
Pressure induced phase transformations of nanocrystals studied with transition path sampling simulations |
| 14:45 |
00:45:00 |
Invited oral |
Carla Molteni |
Changing shape under pressure: a study of semiconductor nano-crystals by metadynamics |
September 16th, Tuesday |
|
| 09:00 |
00:30:00 |
Oral |
Michael Grünwald |
Transition states in pressure-induced structural transformations of nanocrystals |
| 09:30 |
00:30:00 |
Oral |
Edwin Flikkema |
Graph-based sampling of fully-coordinated silica (SiO2)N clusters |
| 10:00 |
00:30:00 |
Oral |
Alexander V. Evteev |
Phenomenological Analysis and Monte Carlo Simulation of Diffusion in Hollow Binary Alloy Nanospheres |
| 11:00 |
00:30:00 |
Oral |
Elena V. Levchenko |
Molecular Dynamics Study of Formation by Interdiffusion of Pd-Ni and Ag-Ni Nanoparticles |
| 11:30 |
00:30:00 |
Oral |
Taras M. Radchenko |
Atomic Ordering in Metal-Doped Graphene: Statistical Thermodynamics and Kinetics |
| 12:00 |
00:30:00 |
Oral |
Fabrizio Cleri |
Shape and faceting of Si nanocrystals embedded in an amorphous glass matrix |
| 14:00 |
00:45:00 |
Invited oral |
Karina Morgenstern |
An STM investigation of the influence of topography and electronic structure on diffusion |
| 14:45 |
00:45:00 |
Invited oral |
Francesco Montalenti |
Fast surface exchange processes determining local concentration profiles in heteroepitaxial nanometric islands |
| 16:00 |
00:30:00 |
Oral |
Rafal Kozubski |
Surface effect on atomic ordering in nano-layered L10 AB binaries: multiscale Monte Carlo Simulation |
| 16:30 |
00:30:00 |
Oral |
Christine Goyhenex |
Simulation of atomic migration in CoPt ordered alloys |
| 17:00 |
00:30:00 |
Oral |
Véronique Pierron-Bohnes |
Quenched molecular dynamics simulations of the vacancy behaviour near the (001) surface of an ordered CoPt alloy |
| 17:30 |
00:30:00 |
Oral |
Mikhail D. Starostenkov |
Atomic Mechanisms of Structural Reconstruction of Nanocrystal FCC at an Impulsive Deformation |
| 18:00 |
00:30:00 |
Oral |
Carlos A. Duque |
Calculation of direct and indirect excitons in GaAs/Ga1−xAlxAs coupled double quantum wells: electric and magnetic fields and hydrostatic pressure effects |
September 17th, Wednesday |
|
| 09:00 |
00:45:00 |
Invited oral |
Alessandro Mattoni |
Growth phenomena and optoelectronic properties of mixed-phase amorphous-crystalline nanosystems |
| 09:45 |
00:45:00 |
Invited oral |
Hervé Bulou |
Surface diffusion on inhomogeneous surfaces |
| 11:00 |
00:30:00 |
Oral |
Roberto Scipioni |
Interlayer effects in Multi walled Carbon Nanotubes and Carbon Nanopeapods |
| 11:30 |
00:30:00 |
Oral |
Matthieu Soulis |
Ab initio study of a metal contacted organic-inorganic heterostructure |
| 12:00 |
00:30:00 |
Oral |
Mark S. Zhukovskiy |
Computer simulation of high reversible hydrogen sorption on surfaces of a carbon nanotube |
| 14:00 |
00:30:00 |
Oral |
Paola Gallo |
The fragile to strong dynamic crossover transition in confined water: molecular dynamics results |
| 14:30 |
00:30:00 |
Oral |
Milica Todorovic |
Large-scale density-functional theory study of gramicidin A ion channel geometry and electronic properties |
| 15:00 |
00:30:00 |
Oral |
Affouard Frederic |
Molecular dynamics simulations of lysozyme in water/sugar biopreservative solutions |
September 18th, Thursday |
|
| 09:00 |
00:45:00 |
Invited oral |
Annick P. Dejaegere |
Computational analysis of protein-protein interfaces and implications for ligand design |
| 09:45 |
00:45:00 |
Invited oral |
Carme Rovira |
Substrate conformational changes in carbohydrate binding enzymes. Insights from ab initio simulations. |
| 11:00 |
00:45:00 |
Invited oral |
Philip S. Salmon |
Ordering in Network Liquids and Glasses |
| 11:45 |
00:45:00 |
Invited oral |
Jean-Yves Raty |
Distortions and low symmetry environments in liquids : alkalis at high pressure. |
| 14:00 |
00:30:00 |
Oral |
Christophe Bichara |
Atomic and electronic structure of GST phase change materials |
| 14:30 |
00:30:00 |
Oral |
Anita Zeidler |
Partial Structure Factors of Molten and Glassy Zinc Chloride |
| 15:00 |
00:30:00 |
Oral |
Masahiko Matsubara |
Silica glass models from first-principles molecular dynamics approach |
| 16:00 |
00:45:00 |
Invited oral |
Simona Ispas |
First-principles modelling of some simple silicate glasses: local structural distortions vs specific macroscopic properties |
| 16:45 |
00:45:00 |
Invited oral |
Mark Wilson |
Multiple Length-Scale Ordering in Network-forming Ionic Liquids |
| 17:30 |
00:30:00 |
Oral |
Massimo Celino |
Defective icosahedral order in undercooled copper |
