Invited presentation by Ainara Nova at the Workshop Boosting Computational Catalysis with Machine Learning. Current Challenges, Limitations, and Opportunities

Presentation at Collegium Helveticum, Zurich, Switzerland in May, 27th 2025: 

• collegium.ethz.ch/events/fellow-year-2024-2025/boosting-computational-catalysis-with-machine-learning

The workshop was organised by Konstantinos Vogiatzis and Markus Reiher and aimed to bring together international experts in computational catalysis and machine learning. The content and discussions from the workshop will be used to write a perspective article.

In the presentation, Nova explained the work her group is doing at the Hylleraas to decipher the mechanism for CO₂ hydrogenation to methanol and find more efficient catalysts using machine learning methods.