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

Session

Session 3

Jun 17, 2025, 10:40 AM

8. Advanced Modelling of Catalytic Reactions at the Electrochemical Interface

Katariina Honkala

6/17/25, 10:40 AM

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

Elias Diesen

6/17/25, 11:20 AM

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

Francesco Cannizzaro

6/17/25, 11:40 AM

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

Graeme Henkelman

6/17/25, 12:00 PM