2 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…
quant-ph2024
Workflow for practical quantum chemical calculations with quantum phase estimation algorithm: electronic ground and Ï-Ï* excited states of benzene and its derivativesâ
Yusuke Ino, Misaki Yonekawa, Hideto Yuzawa +2
Quantum computers are expected to perform the full-configuration interaction calculations with less computational resources compared to classical ones, thanks to the use of the qua…