3 papers
cond-mat.mtrl-sci2026
Human and LLM Collaboration for Accelerated Materials Synthesis and Discovery
Gregory Bassen, Wyatt Bunstine, Sarah Okandey +7
Although Large Language Models (LLM) and Artificial Intelligence (AI) tools have enabled a rapid increase in the generation rate of predicted materials, the rate of new materials d…
cs.AI2026
Coupling Language Models with Physics-based Simulation for Synthesis of Inorganic Materials
Edward W. Staley, Tom Arbaugh, Michael Pekala +6
Modern generative machine learning (ML) models can propose novel inorganic crystalline materials with targeted properties; however, synthesis planning of these materials remains di…
cs.SE2026
Can Coding Agents Reproduce Findings in Computational Materials Science?
Ziyang Huang, Yi Cao, Ali K. Shargh +15
Large language models are increasingly deployed as autonomous coding agents and have achieved remarkably strong performance on software engineering benchmarks. However, it is uncle…