Publications (4)
Omics-scale polymer computational database transferable to real-world artificial intelligence applications
Ryo Yoshida, Yoshihiro Hayashi, Hidemine Furuya +103
Developing large-scale foundational datasets is a critical milestone in advancing artificial intelligence (AI)-driven scientific innovation. However, unlike AI-mature fields such a…
SPACIER: On-Demand Polymer Design with Fully Automated All-Atom Classical Molecular Dynamics Integrated into Machine Learning Pipelines
Shun Nanjo, Arifin, Hayato Maeda +5
Machine learning has rapidly advanced the design and discovery of new materials with targeted applications in various systems. First-principles calculations and other computer expe…
Finding Rare AGN: X-ray Number Counts of Chandra Sources in Stripe 82
Stephanie M. LaMassa, C. Megan Urry, Eilat Glikman +14
We present the first results of a wide area X-ray survey within the Sloan Digital Sky Survey (SDSS) Stripe 82, a 300 deg region of the sky with a substantial investment in mult…
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…