2 citations · 2 across the 1 of their papers we have counts for
4 papers
LLM-Augmented Chemical Synthesis and Design Decision Programs
Haorui Wang, Jeff Guo, Lingkai Kong +4
Retrosynthesis, the process of breaking down a target molecule into simpler precursors through a series of valid reactions, stands at the core of organic chemistry and drug develop…
polyGen: A Learning Framework for Atomic-level Polymer Structure Generation
Ayush Jain, Rampi Ramprasad
Synthetic polymeric materials underpin fundamental technologies in the energy, electronics, consumer goods, and medical sectors, yet their development still suffers from prolonged…
MSQA: Benchmarking LLMs on Graduate-Level Materials Science Reasoning and Knowledge
Jerry Junyang Cheung, Shiyao Shen, Yuchen Zhuang +3
Despite recent advances in large language models (LLMs) for materials science, there is a lack of benchmarks for evaluating their domain-specific knowledge and complex reasoning ab…
Polymer Composites Informatics for Flammability, Thermal, Mechanical and Electrical Property Predictions
Huan Tran, Chiho Kim, Rishi Gurnani +8
Polymer composite performance depends significantly on the polymer matrix, additives, processing conditions, and measurement setups. Traditional physics-based optimization methods…