fig3
From: DigMethpy: an AI-empowered digital catalysis platform for methane pyrolysis molten catalyst design
Figure 3. Three key steps within the closed-loop molten catalyst design workflow of the DigMethpy platform. The evolutionary pathway, associated technologies, and corresponding models are presented for each interconnected step. AI: Artificial intelligence; LLMs: large language models; MD: molecular dynamics; DFT: density functional theory.
