ABOUT ME //
ABOUT
Portrait of Yinqi Zeng
Yinqi Zeng UIUC ECE / CS Minor

Research Summary

AI for scientific discovery Molecular and materials machine learning Scientific datasets and benchmarks Graph neural networks Molecular language models LLM agents and tool-use systems

I am an Electrical Engineering undergraduate at the University of Illinois Urbana-Champaign, with a minor in Computer Science. As an undergraduate researcher at the IBM-Illinois Discovery Accelerator Institute, I build AI systems for chemistry and materials discovery.

My recent work spans QuantumChem-200K, MolecularArena, and Raven: from large-scale quantum-chemistry datasets and molecular learning benchmarks to multi-agent LLM systems that coordinate scientific planning, tool routing, molecular proposal, property prediction, and chemistry validation.

I am looking for graduate and PhD programs where I can continue developing reliable AI for scientific discovery, especially at the intersection of molecular representation learning, tool-using agents, and experimentally grounded materials research.

UIUC ECE BS 2027 CS Minor IIDAI Research PhD Applicant
RESEARCH //
RESEARCH
PROJECTS //
PROJECTS
AI AGENT SYSTEM

Raven

Multi-agent LLM system for chemistry and materials discovery, coordinating planning, tool routing, synthesis workflows, property prediction, and RDKit/OpenBabel validation.

LLM agents LangGraph / LangChain Tool orchestration RDKit / OpenBabel
Synthera / Raven system overview project media
PROJECT VISUAL Synthera / Raven system overview
LIFE
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