CECAM/Psi-k/HERALD Workshop

  • Author/Organiser: Ralf Tonner, Karsten Reuter, Simon Elliott, Jörg Neugebauer
  • Event Website: http://www.staff.uni-marburg.de/~simgrow/
  • Event Date: 08 November 2015 to 11 November 2015
  • Event Type: Workshop / Training Course
  • Venue: Schloss Rauischholzhausen, Ebsdorfergrund-Rauischholzhausen, Germany

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The controlled growth of thin films based on metastable materials by chemistry-driven processes is of high technological importance for topics like semiconductor devices or optical coatings. Computational modelling of this inherently multiscale process is crucial for an atomistic understanding and enables a decoupling and separate optimization of the growth-determining factors of non-equilibrium materials.

This workshop is a joint effort by experts from different modelling communities.


  • Kerstin Volz (U Marburg, Germany)
    Metastable III/V semiconducturs: growth & structure formation
  • Simon Elliott (Tyndall National Institute, Ireland)
    Building atomic-level information into growth simulations for atomic layer deposition
  • Alexey Timoshkin (U St. Petersburg, Russia)
    Gas-phase association reactions in 13-15 CVD
  • Peter Kratzer (U Duisburg-Essen, Germany)
    First-principles studies of atomic-scale kinetic processes in metastable wurtzite GaAs
  • Francesco Montalenti (U Milano, Italy)
    Towards a realistic, continuum modeling of heteroepitaxial growth: elastic relaxation, surface-energy minimization, misfit dislocations, and intermixing
  • Christian Carbogno (FHI Berlin, Germany)
    Thermodynamic Equilibrium and Non-equilibrium Properties from First Principles
  • Kristen Fichthorn (Penn State U, USA)
    Growth and Assembly of Nanoscale Materials: Insights from Simulation
  • Chris Van de Walle (UC Santa Barbara, USA)
    Electronic structure and stability of charged complex oxide surfaces
  • Talat Rahman (U Central Florida, USA)
    Self Learning Kinetic Monte Carlo Method and its application to adatom-island diffusion and coarsening
  • Wolfram Miller (IKZ Berlin, Germany)
    Epitaxial Growth of oxide layers - contributions of DFT and KMC calculations for understanding the kinetics
  • Ingo Steinbach (U Bochum, Germany)
    Phase-Field simulation of non-equilibrium processes at the mesoscopic scale
  • Mahdi Shirazi (U Antwerpen, Netherlands)
    Cooperation between adsorbates provides a facilitative environment for atomic layer deposition reactions
  • Henrik Pedersen (U Linköping, Sweden)
    Modelling Chemical Vapor Deposition
  • Erwin Kessels (TU Eindhoven, Netherlands)
    Atomic layer deposition of Al2O3: new insights from sum-frequency generation studies
  • Mikko Ritala (University of Helsinki, Finland)
    In situ studies on reaction mechanisms in atomic layer deposition processes


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Magazine of Chemistry Europe (16 European Chemical Societies)published by Wiley-VCH