Bridging structure and activity in nanocatalysts via machine learning and global structure representations

Reaction Chemistry & Engineering 2026 Open access

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Authors: Sofia Zinzani, Francesca Baletto, Kevin Rossi

DOI: 10.1039/d6re00180g

Cited by: 1

References: 43

Abstract

Establishing a mapping between nanocatalysts structure and their catalytic properties is essential for efficient design.

Machine Learning in Materials Science

References 43