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Provisional Programme

Wednesday 13th September
13:00 - 14:00 Arrival and registration
14:00 - 14:15 Introduction & Welcome
Session 1 - Phase change materials
14:15 - 15:05 Mattias Wuttig - Phase Change Materials by Design: The Mystery of Resonance Bonding
15:05 - 15:40 Gabriele Sosso - The Crystallization Kinetics of GeTe Nanowires - Insights from Large Scale Atomistic Simulations
15:40 - 16:15 Coffee
16:15 - 17:05 Stephen Elliott - Structure of amorphous phase-change materials: What have the bonds ever done for us?


Dinner in Rootes Restaurant from 19:00



Thursday 14th September
Session 2 - Encapsulated nanowires
09:00 - 09:50 Jeremy Sloan - Crystallography and Functional Evolution of Atomically Thin Confined Nanowires
09:50 - 10:25 Mark Wilson - The Formation of Unique Crystal Structures in Confined Environments
10:25 - 11:00 Coffee
11:00 - 11:50 Eric Faulques - Recent progress in characterization and modelling of functional nanowires
11:50 - 12:25 Elena Besley - Electron beam induced chemical reactions and nano-catalysis in confined environments
12:25 - 13:00 Paulo Medeiros - Efficient and Accurate Ab Initio Structural Predictions of CNT-Encapsulated Extreme Nanowires


Lunch in Rootes Restaurant

Session 3 - Advanced sampling for structural transformations/phase change
14:00 - 14:50 Normand Mousseau - Carbon diffusion in Iron : A Kinetic Activation-Relaxation Technique Study
14:50 - 15:40 Jutta Rogal - Atomistic mechanisms and kinetics during phase transformations in metals


Coffee

Session 4 - Poster session
16:00 - 17:30 Posters (all contributions welcome)


Workshop dinner in the Chancellors Suite (3rd floor Rootes Building) 19:00



Friday 15th September
Session 5 - Functional properties of nanostructures
09:00 - 09:50 Chris Ewels - Semi-automatic routes to confined structure prediction in nanocarbons
09:50 - 10:25 Nicola Bonini - Transport in nanomaterials from first-principles
10:25 - 11:00 Andrij Vasylenko - Regulation of electronic and thermoelectric properties of SnTe and HgTe
nanowires via their encapsulation within single-walled carbon nanotubes


Coffee

Session 6 - Large length scale simulation methods
11:30 - 12:05 Gabor Csanyi - Gaussian Approximation Potentials for Materials Research
12:05 - 12:40 Lionel Truflandier - An overview of the CONQUEST code capabilities: Molecular dynamics and applications


12:40 - 13:00 Conclusions & Discussion


Lunch in Rootes Restaurant followed by departure