VirtualLab_CC: An LLM-augmented virtual laboratory for automated computational chemistry research
Recent advances in large language models (LLMs) have opened new avenues for automating scientific research workflows. Systems like the AI Scientist [1] demonstrate fully autonomous endto-end research pipelines for machine learning, but their applicability to domains requiring expensive high-performance computing (HPC)...
Martina Kieninger, Marc E. Segovia, Mauricio Vega-Teijido et al.
· Artificial Intelligence Chem... · 2 citations