Autonomous heterogeneous catalyst discovery with a self-evolving multi-agent digital twin 事件

Autonomous heterogeneous catalyst discovery with a self-evolving multi-agent digital twin arXiv:2606.05050v1 Announce Type: cross Abstract: Theoretical heterogeneous catalysis promises rapid catalyst discovery, yet computational and machine-learning predictions often deviate from experiment and stay confined to narrow material families, for want of a faithful, condition-aware catalytic simulator. We present CatDT (Catalysis Digital Twin), a self-evolving multi-agent system that builds an autono