2 papers
physics.chem-ph2026
Generative Chemical Language Models for Energetic Materials Discovery
Andrew Salij, R. Seaton Ullberg, Megan C. Davis +5
The discovery of new energetic materials remains a pressing challenge hindered by limited availability of high-quality data. To address this, we have developed generative molecular…
cond-mat.mtrl-sci2025
Hierarchical Multi-agent Large Language Model Reasoning for Autonomous Functional Materials Discovery
Samuel Rothfarb, Megan C. Davis, Ivana Matanovic +3
Artificial intelligence is reshaping scientific exploration, but most methods automate procedural tasks without engaging in scientific reasoning, limiting autonomy in discovery. We…