Machine Learning-Accelerated Discovery of Curvature-Induced Binding Mode Switching in Dual-Atom Catalysts Promoting C–C Coupling
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Supporting structures, data, scripts and forcefields files for " Machine Learning-Accelerated Discovery of Curvature-Induced Binding Mode Switching in Dual-Atom Catalysts Promoting C–C Coupling"
Fields of Study & Subjects
Machine Learning in Materials Science
Catalytic Cross-Coupling Reactions
Advanced Chemical Physics Studies
Publication details
- Journal / source
- Zenodo (CERN European Organization for Nuclear Research)
- Publication date
- 12 March 2026
- Language
- EN