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Frontiers of Multi-scale Modeling in Materials, Energy & Catalysis X

22–26 Apr 2024
Europe/Berlin timezone

Session

Session V: Catalysis & Multiscale Modeling

25 Apr 2024, 09:00

Presentation materials

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  1. 26. Microkinetic Modelling of CO2 Hydrogenation to Methanol on Doped ZrO2(101)
    Dr Mie Andersen (Aarhus Institute of Advanced Studies, Denmark)
    25/04/2024, 09:00
  2. 27. Microkinetic Modeling of Catalytic Reactions With (Fine-Tuned) Machine-Learning Interatomic Potentials
    Dr Raffaele Cheula (Department of Physics and Astronomy,Aarhus University, Denmark)
    25/04/2024, 09:20
  3. 28. Automatic Process Explorer (APE): Potentials and Pitfalls
    Dr King Chun Lai (Fritz-Haber-Institut der MPG)
    25/04/2024, 09:40
  4. 29. Coupling Continuum and Microkinetic Models With Multilevel On-The-Fly Sparse Grids
    Mr Tobias Hülser (Fritz-Haber-Institut der MPG)
    25/04/2024, 10:00
  5. 30. Broad Yet Narrow: Super-resolution Techniques to Simulate Electronic Spectra of Large Molecular Systems
    Dr Matthias Kick (Fritz-Haber-Institut der MPG)
    25/04/2024, 10:40
  6. 31. Exploring O-Dependent Step-Edge Restructuring of Pd with GAP-AKMC
    Dr Patricia Poths (Fritz-Haber-Institut der MPG)
    25/04/2024, 11:10
  7. 32. General Purpose Kinetic Monte Carlo Algorithm with Sparse Updating
    Mr Bat-Amgalan Bat-Erdene (Fritz-Haber-Institut der MPG)
    25/04/2024, 11:30
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