Open Catalyst Project
21 days ago
- #Renewable Energy
- #Catalyst Discovery
- #AI Research
- Relaxation trajectory of a CO* group on Zr from Zr3Sc orientation, key for CO2 reduction and fuel generation.
- Open Catalyst Project: AI-driven catalyst discovery for renewable energy storage to combat climate change.
- Renewable energy storage is critical for managing intermittent power from sources like wind and solar.
- Conversion of renewable energy to fuels like hydrogen offers scalable grid solutions.
- Finding low-cost, efficient catalysts is a major challenge in renewable energy storage.
- Quantum mechanical simulations (DFT) are costly; AI/ML can approximate these to discover new catalysts.
- Open Catalyst 2020 (OC20) and 2022 (OC22) datasets released with 1.3M relaxations and 260M DFT calculations.
- Baseline models, code, and leaderboard available on GitHub for community participation.