Monte Carlo Thought Search: Large Language Model Querying for Complex Scientific Reasoning in Catalyst Design. - Henry Sprueill; Carl Edwards; Mariefel V. Olarte; Udishnu Sanyal; Heng Ji; Sutanay Choudhury (EMNLP (Findings), 2023)

CHEMREASONER: Heuristic Search over a Large Language Model's Knowledge Space using Quantum-Chemical Feedback. - Henry W. Sprueill; Carl Edwards; Khushbu Agarwal; Mariefel V. Olarte; Udishnu Sanyal; Conrad Johnston; Hongbin Liu; Heng Ji; Sutanay Choudhury (ICML, 2024)