21 citations · 51 across the 15 of their papers we have counts for
16 papers
Quantum--classical break-even in electronic dynamics of macrocyclic molecules
Shu Kanno, Kenji Sugisaki, Takashi Imamichi +5
Here we demonstrate quantum--classical break-even for chemical dynamics applications, reaching useful accuracy with a quantum-hardware wall-clock time comparable to that estimated…
Impact of molecular orbital localization on quantum computational resources for Hamiltonian simulation: A benchmark study of hydrogen chain systems
Kenji Sugisaki, Yuhei Tachi, Masayoshi Terabe +1
We investigate how molecular orbitals used as the basis of wave function expansion and how operator coefficient-based and locality-based Hamiltonian truncation affects the computat…
Resource-efficient quantum-selected configuration interaction for molecular properties
Suprava Sahoo, Abdul Kalam, Kenji Sugisaki +2
The quantum-selected configuration interaction identifies important determinantal basis functions through real-time evolution of a reference wavefunction and diagonalizing the Hami…
Tensor-based phase difference estimation on time series analysis
Shu Kanno, Kenji Sugisaki, Rei Sakuma +3
We propose a phase-difference estimation algorithm based on the tensor-network circuit compression, leveraging time-evolution data to pursue scalability and higher accuracy on a qu…
Supramolecular approach-based intermolecular interaction energy calculations using quantum phase estimation algorithm
Yuhei Tachi, Akihiko Arakawa, Taisei Osawa +2
Accurate computation of non-covalent, intermolecular interaction energies is important to understand various chemical phenomena, and quantum computers are anticipated to accelerate…
Size-consistent implementation of Hamiltonian simulation-based quantum-selected configuration interaction method for the supramolecular approach
Kenji Sugisaki
The quantum-selected configuration interaction (QSCI) method is a promising approach for large-scale quantum chemical calculations on currently available quantum hardware. However,…
Quantum phase estimation based filtering: performance analysis and application to low-energy spectral calculation
Rei Sakuma, Kaito Wada, Shu Kanno +5
Filtering is an important technique in quantum computing used for isolating or enhancing some specific states of quantum many-body systems. In this paper, we analyze the performanc…
Determining Molecular Ground State with Quantum Imaginary Time Evolution using Broken-Symmetry Wave Function
Pawan Sharma Poudel, Kenji Sugisaki, Michal Hajdušek +1
The Hartree-Fock (HF) wave function, commonly used for approximating molecular ground states, becomes nonideal in open shell systems due to the inherent multi-configurational natur…
Applications of the Quantum Phase Difference Estimation Algorithm to the Excitation Energies in Spin Systems on a NISQ Device
Boni Paul, Sudhindu Bikash Mandal, Kenji Sugisaki +1
The Quantum Phase Difference Estimation (QPDE) algorithm, as an extension of the Quantum Phase Estimation (QPE), is a quantum algorithm designed to compute the differences of two e…
Robust phase estimation of the ground-state energy without controlled time evolution on a quantum device
Hiroki Kuji, Yuta Shingu, Tetsuro Nikuni +3
Estimating the ground-state energy of Hamiltonians in quantum systems is an important task. In this work, we demonstrate that the ground-state energy can be accurately estimated wi…
Hamiltonian simulation-based quantum-selected configuration interaction for large-scale electronic structure calculations with a quantum computer
Kenji Sugisaki, Shu Kanno, Toshinari Itoko +2
Quantum-selected configuration interaction (QSCI) is an approach for quantum chemical calculations using current quantum computers. In conventional QSCI, Slater determinants used f…
Optimizing a parameterized controlled gate using Free Quaternion Selection
Hiroyoshi Kurogi, Katsuhiro Endo, Yuki Sato +6
In variational quantum algorithms, parameterization is typically applied to single-qubit gates.In this study, we instead parameterize a generalized controlled gate and propose an a…
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…
Does the full configuration interaction method based on quantum phase estimation with Trotter decomposition satisfy the size consistency condition?
Kenji Sugisaki
Electronic structure calculations of atoms and molecules are considered to be a promising application for quantum computers. Two key algorithms, the quantum phase estimation (QPE)…
Entanglement-assisted phase estimation algorithm for calculating dynamical response functions
Rei Sakuma, Shu Kanno, Kenji Sugisaki +2
Dynamical response functions are fundamental quantities to describe the excited-state properties in quantum many-body systems. Quantum algorithms have been proposed to evaluate the…
Workflow for practical quantum chemical calculations with quantum phase estimation algorithm: electronic ground and π-π* excited states of benzene and its derivatives†
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…