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

Session

Session 3

17 Jun 2025, 10:40

8. Advanced Modelling of Catalytic Reactions at the Electrochemical Interface

Katariina Honkala

17/06/2025, 10:40

9. Grand Canonical Energetics from Canonical Free Energy Sampling of Electrochemical Reactions

Elias Diesen

17/06/2025, 11:20

10. Diversity-Driven Active Learning of Interatomic Potentials Applied to Automatic Reaction Network Exploration

Francesco Cannizzaro

17/06/2025, 11:40

11. Some progress toward useful accelerated dynamics methods, but more challenges

Graeme Henkelman

17/06/2025, 12:00