3 citations · 3 across the 2 of their papers we have counts for
3 papers
Reaction-network reasoning with frontier models for experimentally confirmed catalyst-selectivity hypotheses
Sutanay Choudhury, Anwesha Banerjee, Udishnu Sanyal +7
Catalysts are essential for sustainable chemical manufacturing, yet discovering novel architectures remains a bottleneck dominated by trial-and-error experimentation and computatio…
ChemReasoner: Heuristic Search over a Large Language Model's Knowledge Space using Quantum-Chemical Feedback
Henry W. Sprueill, Carl Edwards, Khushbu Agarwal +6
The discovery of new catalysts is essential for the design of new and more efficient chemical processes in order to transition to a sustainable future. We introduce an AI-guided co…
Monte Carlo Thought Search: Large Language Model Querying for Complex Scientific Reasoning in Catalyst Design
Henry W. Sprueill, Carl Edwards, Mariefel V. Olarte +3
Discovering novel catalysts requires complex reasoning involving multiple chemical properties and resultant trade-offs, leading to a combinatorial growth in the search space. While…