Calculation of Core-Excited and Core-Ionized States Using Variational Quantum Deflation Method and Applications to Photocatalyst Modeling

por Shirai, Soichi, Horiba, Takahiro, Hirai, Hirotoshi
Publicado 2022

Computational Analysis of Chemical Reactions Using a Variational Quantum Eigensolver Algorithm without Specifying Spin Multiplicity

por Shirai, Soichi, Iwakiri, Hokuto, Kanno, Keita, Horiba, Takahiro, Omiya, Keita, Hirai, Hirotoshi, Koh, Sho
Publicado 2023

Molecular Structure Optimization Based on Electrons–Nuclei Quantum Dynamics Computation

por Hirai, Hirotoshi, Horiba, Takahiro, Shirai, Soichi, Kanno, Keita, Omiya, Keita, Nakagawa, Yuya O., Koh, Sho
Publicado 2022