3 papers
physics.chem-ph2025
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…
cond-mat.mtrl-sci2025
Database and deep-learning scalability of anharmonic phonon properties by automated brute-force first-principles calculations
Masato Ohnishi, Tianqi Deng, Pol Torres +16
Understanding the anharmonic phonon properties of crystal compounds -- such as phonon lifetimes and thermal conductivities -- is essential for investigating and optimizing their th…
cs.DC2024
ARIM-mdx Data System: Towards a Nationwide Data Platform for Materials Science
Masatoshi Hanai, Ryo Ishikawa, Mitsuaki Kawamura +16
In modern materials science, effective and high-volume data management across leading-edge experimental facilities and world-class supercomputers is indispensable for cutting-edge…