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

Session

Session V: Catalysis & Multiscale Modeling

25 Apr 2024, 09:00

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

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

28. Automatic Process Explorer (APE): Potentials and Pitfalls

Dr King Chun Lai (Fritz-Haber-Institut der MPG)

25/04/2024, 09:40

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

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

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

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