Large AI models can speed catalyst discovery by predicting performance before synthesis

Artificial intelligence (AI) is transforming the way scientists discover and design new materials. In a specially invited ...
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Reinforcement learning world models for catalyst surface reconstruction: state-of-the-art review

This work presents an AI-based world model framework that simulates atomic-level reconstructions in catalyst surfaces under dynamic conditions. Focusing on AgPd nanoalloys, it leverages Dreamer-style ...