Catalyst-Agent: Autonomous heterogeneous catalyst screening with an LLM Agent 事件

Catalyst-Agent: Autonomous heterogeneous catalyst screening with an LLM Agent arXiv:2603.01311v2 Announce Type: replace Abstract: The discovery of novel catalysts tailored for particular applications is a major challenge for the twenty-first century. Traditional methods for this include time-consuming and expensive experimental trial-and-error approaches in labs based on chemical theory or heavily computational first-principles approaches based on density functional theory. Recent studies show