2 papers
cond-mat.mtrl-sci2026
From Knowledge to Action: Outcomes of the 2025 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry
Aritra Roy, Kevin Shen, Andrew MacBride +350
Large language models (LLMs) are rapidly changing how researchers in materials science and chemistry discover, organize, and act on scientific knowledge. This paper analyzes a broa…
cond-mat.mtrl-sci2025
Crystalyse: a multi-tool agent for materials design
Ryan Nduma, Hyunsoo Park, Aron Walsh
We present Crystalyse, an open, provenance-enforced scientific agent for computational materials design of inorganic crystals that orchestrates tools for compositional screening, c…