Preprint
Aug 2026
ALKEMIE Agent: an autonomous platform for computational materials design
ALKEMIE Agent is introduced, an agentic platform in which retrieval-augmented generation, a materials-computation knowledge base, registered skills, database-supported provenance, AI-assisted structure modeling, bounded task execution, tool-calling iteration, and error-diagnostic assistance are integrated within a traceable control loop.
Hongfu Huang, Yu-Zhe Li, Ao Xu et al.
· 0 citations