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

Session

Session I: Selectivity in Catalysis

22 Apr 2024, 15:00

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)

22/04/2024, 15:00

3. Oxygen Adsorption at the Electrochemical Metal/Water Interface: Au(111) vs. Pt(111)

Ms Alexandra Dudzinski (Fritz-Haber-Institut der MPG)

22/04/2024, 15:40

4. Free Energy Sampling of Elementary Reaction Barriers for the Oxygen Reduction Reaction

Dr Elias Diesen (Fritz-Haber-Institut der MPG)

22/04/2024, 16:00

5. Exploring Pd Subsurface Chemistry During Acetylene Semi-hydrogenation with Adaptive Kinetic Monte Carlo

Dr Francesco Cannizzaro (Fritz-Haber-Institut der MPG)

22/04/2024, 16:40

6. Exploring the Relation Between Electrocatalyst Morphology and Product Selectivity from Multiscale Reaction Models

Dr Hemanth S. Pillai (Fritz-Haber-Institut der MPG)

22/04/2024, 17:00