Hirotoshi Hirai

Publication Activity (10 Years)

Years Active: 2022-2024
Publications (10 Years): 6

Top Topics

Network Analysis

Machine Learning

Molecular Dynamics

Energy Transfer

Top Venues

Journal of chemical theory and computation

This page only lists publications with an associated author ORCID identifier.

Publications

Takahiro Horiba, Soichi Shirai, Hirotoshi Hirai
Construction of Antisymmetric Variational Quantum States with Real Space Representation. Journal of chemical theory and computation (2024)
Soichi Shirai, Hokuto Iwakiri, Keita Kanno, Takahiro Horiba, Keita Omiya, Hirotoshi Hirai, Sho Koh
Computational Analysis of Chemical Reactions Using a Variational Quantum Eigensolver Algorithm without Specifying Spin Multiplicity. ACS omega 8 (22) (2023)
Soichi Shirai, Takahiro Horiba, Hirotoshi Hirai
Calculation of Core-Excited and Core-Ionized States Using Variational Quantum Deflation Method and Applications to Photocatalyst Modeling. ACS omega 7 (12) (2022)
Hirotoshi Hirai, Ryosuke Jinnouchi
Mechanisms of temperature-dependent oxygen absorption/release and appearance of intermediate phase in κ-Ce 2 Zr 2 O 8 : study based on oxygen vacancy formation energy computations. RSC advances 12 (26) (2022)
Hirotoshi Hirai, Ryosuke Jinnouchi
Discovering surface reaction pathways using accelerated molecular dynamics and network analysis tools. RSC advances 12 (36) (2022)
Hirotoshi Hirai, Takahiro Horiba, Soichi Shirai, Keita Kanno, Keita Omiya, Yuya O Nakagawa, Sho Koh
Molecular Structure Optimization Based on Electrons-Nuclei Quantum Dynamics Computation. ACS omega 7 (23) (2022)