Author

J. Rondinelli

h-index 65 View on Semantic Scholar

We have 1 of 474 papers

We haven’t gathered this author’s papers yet. Follow them and we’ll fetch their work.

Not the right person? Other researchers publish under this name.

Preprint Sep 2026

Can Autonomous LLM Agents Execute Multireference Quantum Chemistry Calculations?

It is demonstrated that contemporary LLM agents can autonomously execute and reproduce complex multireference quantum-chemical workflows, while highlighting the importance of structured reasoning frameworks for achieving reliable high-throughput and high-fidelity electronic-structure calculations.

V. Lee, J. Rondinelli · 1 citation