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

Apr 22 – 26, 2024
Europe/Berlin timezone

Session

Session I: Selectivity in Catalysis

Apr 22, 2024, 3:00 PM

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  1. 2. High-Throughput Computational Thermodynamics: What Can We Learn About an Interatomic Potential?
    Dr Livia Bartók-Pártay (The Department of Chemistry University of Warwick Coventry CV4 7AL United Kingdom)
    4/22/24, 3:00 PM
  2. 3. Oxygen Adsorption at the Electrochemical Metal/Water Interface: Au(111) vs. Pt(111)
    Ms Alexandra Dudzinski (Fritz-Haber-Institut der MPG)
    4/22/24, 3:40 PM
  3. 4. Free Energy Sampling of Elementary Reaction Barriers for the Oxygen Reduction Reaction
    Dr Elias Diesen (Fritz-Haber-Institut der MPG)
    4/22/24, 4:00 PM
  4. 5. Exploring Pd Subsurface Chemistry During Acetylene Semi-hydrogenation with Adaptive Kinetic Monte Carlo
    Dr Francesco Cannizzaro (Fritz-Haber-Institut der MPG)
    4/22/24, 4:40 PM
  5. 6. Exploring the Relation Between Electrocatalyst Morphology and Product Selectivity from Multiscale Reaction Models
    Dr Hemanth S. Pillai (Fritz-Haber-Institut der MPG)
    4/22/24, 5:00 PM
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