Following on from the successful TYC Thermodynamics and Kinetics of Surfaces and Interfaces from Simulations Workshop, we now have a many of talks available to view online.

Please click on the Session titles for online talks from the TYC Conference. The speakers in each clip and the scene at which their talk begins are listed. (Please note, where requested by speakers, a small number of the talks have not been uploaded.)

Photographs from the TYC Conference Poster Session

Session 1: Thermodynamics and kinetics of dopants, defects and adatoms at surfaces

SCENE 1: Bernd Meyer (Uni Erlangen, Germany) 

Structure, composition and reactivity of oxide catalyst surfaces under reaction conditions 

SCENE 23: Mira Todorova (Max Planck Institute- Düsseldorf, Germany)
Stability of polar ZnO(0001) surfaces in dry and humid atmosphere 

SCENE 48: Karoliina Honkala (University of Jyväskylä, Finland) 
Ambient formation of Au(I) edge-oxide at flat Au nanoclusters on an ultra-thin MgO film

SCENE 65: Michel Dupuis (Pacific Northwest National Laboratory, USA
e/h transport, electronic structure and reactivity of defects in oxides: ab initio characterization

SCENE 85: Angelos Michaelides (UCL, UK)
Quantum nuclear effects at surfaces

Highlight Talk by Richard M. Martin (University of Illinois at Urbana-Champaign, USA)
Electronic structure from the top down

Session 2: Growth kinetics of molecular structures at surfaces

SCENE 1: John Venables (Arizona State University, USA)
Thermodynamics and kinetics in adsorption and crystal growth on substrates

SCENE 23: Tom Trevethan (University College London, UK)
The interaction of polar organic molecules with alkali halide substrates and induced surface reconstruction

SCENE 46: Florian Klappenberger (Technische Universitat Munchen, Germany)
Steering nanoscale growth and dynamics with supramolecular templates

SCENE 73: Marco Cecchini (Université de Strasbourg, France)
All-atom simulations of 2D bicomponent self-assembly: from molecular recognition to self-healing

SCENE 101: Sara Fortuna (CNR-IOM Simulation Center and SISSA, Italy)
Self-organisation of surface adsorbed molecular monolayers: an agent-based view

SCENE 122: Claudio Melis (Sardian Laboratory for Computational Materials Science, Italy)
Diffusion and self-assembly of zinc phthalocyanines on the ZnO (10-10) surface: a combination of metadynamics and Metropolis Monte Carlo simulations

Session 3: Finite temperature simulation of condensed phase interfaces

SCENE 1: James Morris (Oak Ridge National Laboratory, USA)
From crystal-melt interfacial free energies to predicting crystal nucleation and growth

SCENE 24: Ruslan Davidchack (University of Leicester, UK)
Cleaving method for determining solid-liquid interfacial free energy in molecular systems: Results for simple models of water

SCENE 43: Susan Perkin (University College London, UK)
Structure and dynamics at the ionic liquid - solid interface

SCENE 62: Mikhail Lavrentiev (Culham Centre for Fusion Energy, UK)
Non-collinear magnetism at interfaces in iron-chromium alloys: low-temperature and finite temperature studies

SCENE 79: Paul Jouanna (University of Montpellier, France)
Atomic simulation of a crystal/fluid/crystal AFM test by the Genetic Iterative Multi Species (GIMS) algorithm using the GenMol code. Application to the cohesion loss of a clay caprock in a CO2 underground storage

Session 4: Heterogeneous catalysis / interaction of molecules with metal surfaces - Part One

SCENE 1: Marco Sacchi (University of Cambridge, UK)
First-principles molecular dynamics simulations of CH4 chemisorption on Pt{110}-(1×2)

SCENE 23: Olga Lopez-Acevedo (University of Jyvaskyla, Finland)
Quantum size effects in ambient CO oxidation catalysed by ligand-protected gold clusters

Session 4: Heterogeneous catalysis / interaction of molecules with metal surfaces - Part Two

SCENE 1: Tonek Jansen (Eindhoven University of Technology, Netherlands)
Atomic resolution and laboratory time scale with kinetic Monte Carlo simulations

SCENE 27: Roger Rousseau (Pacific Northwest National Laboratory, USA)
Theoretical studies of higher alcohol synthesis from biomass derived syngas by modified Fischer-Tropsch catalysts

SCENE 56: Luis Gomez-Hortiguela (Instituto de Catalisis y Petroleoquimica, Madrid, Spain)
Aerobic oxidation of hydrocarbons catalyzed by Mn-doped nanoporous aluminophosphates

SCENE 82: Stephen Shevlin (University College London, UK)
Insights from first principles simulation into the mechanisms of catalysed hydrogen release from MgH2 surfaces via nickel doping and ammonia-borane adsorption