27 citations · 66 across the 8 of their papers we have counts for
8 papers
Auger Spectroscopy via Generative Quantum Eigensolver: A Quantum Approach to Molecular Excitations
Kimberlee Keithley, Shunsuke Yamamoto, Ryota Kenmoku +16
Auger electron spectroscopy, a way of characterizing electronic structure through core-level decay processes, is widely used in materials characterization; however direct calculati…
Quantum Simulations for Extreme Ultraviolet Photolithography
Tyler D. Kharazi, Stepan Fomichev, Shu Kanno +4
A key challenge of extreme ultraviolet (EUV) lithography in semiconductor fabrication is the line edge roughness or "blur" produced by the electron cascades following absorption of…
Tensor-based quantum phase difference estimation for large-scale demonstration
Shu Kanno, Kenji Sugisaki, Hajime Nakamura +5
We develop an energy calculation algorithm leveraging quantum phase difference estimation (QPDE) scheme and a tensor-network-based unitary compression method in the preparation of…
A combined quantum-classical method applied to material design: optimization and discovery of photochromic materials for photopharmacology applications
Qi Gao, Michihiko Sugawara, Paul D. Nation +4
Integration of quantum chemistry simulations, machine learning techniques, and optimization calculations is expected to accelerate material discovery by making large chemical space…
Quantum computing quantum Monte Carlo with hybrid tensor network for electronic structure calculations
Shu Kanno, Hajime Nakamura, Takao Kobayashi +4
Quantum computers have a potential for solving quantum chemistry problems with higher accuracy than classical computers. Quantum computing quantum Monte Carlo (QC-QMC) is a QMC wit…
Quantum-Classical Computational Molecular Design of Deuterated High-Efficiency OLED Emitters
Qi Gao, Gavin O. Jones, Michihiko Sugawara +5
This study describes a hybrid quantum-classical computational approach for designing synthesizable deuterated emitters possessing desirable emission quantum efficiencies (Q…
Excited state calculations using variational quantum eigensolver with spin-restricted ansätze and automatically-adjusted constraints
Shigeki Gocho, Hajime Nakamura, Shu Kanno +4
The ground and excited state calculations at key geometries, such as the Frank-Condon (FC) and the conical intersection (CI) geometries, are essential for understanding photophysic…
Analytical energy gradient for state-averaged orbital-optimized variational quantum eigensolvers and its application to a photochemical reaction
Keita Omiya, Yuya O. Nakagawa, Sho Koh +3
Elucidating photochemical reactions is vital to understand various biochemical phenomena and develop functional materials such as artificial photosynthesis and organic solar cells,…