output
20182023
most citedQulacs: a fast and versatile quantum circuit simulator for research purpose

318 citations

28 papers

quant-ph2023★ 2 cited

Almost optimal measurement scheduling of molecular Hamiltonian via finite projective plane

Wataru Inoue, Koki Aoyama, Yusuke Teranishi +3

We propose an efficient and almost optimal scheme for measuring molecular Hamiltonians in quantum chemistry on quantum computers, which requires distinct measurements in the…

quant-ph2023★ 1 cited

Averaging gate approximation error and performance of Unitary Coupled Cluster ansatz in Pre-FTQC Era

Kohdai Kuroiwa, Yuya O. Nakagawa

Fault-tolerant quantum computation (FTQC) is essential to implement quantum algorithms in a noise-resilient way, and thus to enjoy advantages of quantum computers even with presenc…

nucl-th2022★ 7 cited

Density-Induced Hadron-Quark Crossover via the Formation of Cooper Triples

Hiroyuki Tajima, Shoichiro Tsutsui, Takahiro M. Doi +1

We discuss the hadron--quark crossover accompanied by the formation of Cooper triples (three-body counterpart of Cooper pairs) by analogy with the Bose--Einstein condensate to Bard…

physics.chem-ph2022★ 10 cited

Analytical formulation of the second-order derivative of energy for orbital-optimized variational quantum eigensolver: application to polarizability

Yuya O. Nakagawa, Jiabao Chen, Shotaro Sudo +2

We develop a quantum-classical hybrid algorithm to calculate the analytical second-order derivative of the energy for the orbital-optimized variational quantum eigensolver (OO-VQE)…

quant-ph2022★ 31 cited

Local variational quantum compilation of a large-scale Hamiltonian dynamics

Kaoru Mizuta, Yuya O. Nakagawa, Kosuke Mitarai +1

Implementing time evolution operators on quantum circuits is important for quantum simulation. However, the standard way, Trotterization, requires a huge numbers of gates to achiev…

quant-ph2021★ 31 cited

Quantum expectation-value estimation by computational basis sampling

Masaya Kohda, Ryosuke Imai, Keita Kanno +3

Measuring expectation values of observables is an essential ingredient in variational quantum algorithms. A practical obstacle is the necessity of a large number of measurements fo…

quant-ph2021★ 8 cited

Non-adiabatic Quantum Wavepacket Dynamics Simulation Based on Electronic Structure Calculations using the Variational Quantum Eigensolver

Hirotoshi Hirai, Sho Koh

A non-adiabatic nuclear wavepacket dynamics simulation of the HO de-excitation process is performed based on electronic structure calculations using the variational quantum…

quant-ph2021★ 12 cited

Molecular Structure Optimization based on Electrons-Nuclei Quantum Dynamics Computation

Hirotoshi Hirai, Takahiro Horiba, Soichi Shirai +4

A new concept of the molecular structure optimization method based on quantum dynamics computations is presented. Nuclei are treated as quantum mechanical particles, as are electro…

cond-mat.mes-hall2021★ 20 cited

Non-normal Hamiltonian dynamics in quantum systems and its realization on quantum computers

Nobuyuki Okuma, Yuya O. Nakagawa

The eigenspectrum of a non-normal matrix, which does not commute with its Hermitian conjugate, is a central issue of non-Hermitian physics that has been extensively studied in the…

physics.chem-ph2021★ 27 cited

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,…

quant-ph2021★ 7 cited

Calculating the Green's function of two-site Fermionic Hubbard model in a photonic system

Jie Zhu, Yuya O. Nakagawa, Chuan-Feng Li +2

The Green's function has been an indispensable tool to study many-body systems that remain one of the biggest challenges in modern quantum physics for decades. The complicated calc…

quant-ph2021★ 4 cited

Deep variational quantum eigensolver for excited states and its application to quantum chemistry calculation of periodic materials

Kaoru Mizuta, Mikiya Fujii, Shigeki Fujii +4

A programmable quantum device that has a large number of qubits without fault-tolerance has emerged recently. Variational Quantum Eigensolver (VQE) is one of the most promising way…

quant-ph2020★ 47 cited

Variational quantum simulations of stochastic differential equations

Kenji Kubo, Yuya O. Nakagawa, Suguru Endo +1

Stochastic differential equations (SDEs), which models uncertain phenomena as the time evolution of random variables, are exploited in various fields of natural and social sciences…

quant-ph2020★ 318 cited

Qulacs: a fast and versatile quantum circuit simulator for research purpose

Yasunari Suzuki, Yoshiaki Kawase, Yuya Masumura +17

To explore the possibilities of a near-term intermediate-scale quantum algorithm and long-term fault-tolerant quantum computing, a fast and versatile quantum circuit simulator is n…

quant-ph2020★ 62 cited

Penalty methods for variational quantum eigensolver

Kohdai Kuroiwa, Yuya O. Nakagawa

The variational quantum eigensolver (VQE) is a promising algorithm to compute eigenstates and eigenenergies of a given quantum system that can be performed on a near-term quantum c…

quant-ph2020★ 51 cited

Variational Quantum Simulation for Periodic Materials

Nobuyuki Yoshioka, Takeshi Sato, Yuya O. Nakagawa +2

We present a quantum-classical hybrid algorithm that simulates electronic structures of periodic systems such as ground states and quasiparticle band structures. By extending the u…

quant-ph2020★ 65 cited

Optimal resource cost for error mitigation

Ryuji Takagi

One of the central problems for near-term quantum devices is to understand their ultimate potential and limitations. We address this problem in terms of quantum error mitigation by…

quant-ph2020★ 19 cited

Calculating nonadiabatic couplings and Berry's phase by variational quantum eigensolvers

Shiro Tamiya, Sho Koh, Yuya O. Nakagawa

The variational quantum eigensolver (VQE) is an algorithm to find eigenenergies and eigenstates of systems in quantum chemistry and quantum many-body physics. The VQE is one of the…

quant-ph2020★ 22 cited

Predicting excited states from ground state wavefunction by supervised quantum machine learning

Hiroki Kawai, Yuya O. Nakagawa

Excited states of molecules lie in the heart of photochemistry and chemical reactions. The recent development in quantum computational chemistry leads to inventions of a variety of…

quant-ph2020★ 55 cited

Calculating transition amplitudes by variational quantum deflation

Yohei Ibe, Yuya O. Nakagawa, Nathan Earnest +4

Variational quantum eigensolver (VQE) is an appealing candidate for the application of near-term quantum computers. A technique introduced in [Higgot et al., Quantum 3, 156 (2019)]…

quant-ph2019★ 54 cited

Experimental quantum kernel machine learning with nuclear spins in a solid

Takeru Kusumoto, Kosuke Mitarai, Keisuke Fujii +2

We employ so-called quantum kernel estimation to exploit complex quantum dynamics of solid-state nuclear magnetic resonance for machine learning. We propose to map an input to a fe…

cond-mat.str-el2019★ 122 cited

Orbital optimized unitary coupled cluster theory for quantum computer

Wataru Mizukami, Kosuke Mitarai, Yuya O. Nakagawa +3

We propose an orbital optimized method for unitary coupled cluster theory (OO-UCC) within the variational quantum eigensolver (VQE) framework for quantum computers. OO-UCC variatio…

quant-ph2019★ 87 cited

Calculation of the Green's function on near-term quantum computers

Suguru Endo, Iori Kurata, Yuya O. Nakagawa

The Green's function plays a crucial role when studying the nature of quantum many-body systems, especially strongly-correlated systems. Although the development of quantum compute…

quant-ph2019★ 47 cited

Variational Quantum Algorithm for Non-equilibrium Steady States

Nobuyuki Yoshioka, Yuya O. Nakagawa, Kosuke Mitarai +1

We propose a quantum-classical hybrid algorithm to simulate the non-equilibrium steady state of an open quantum many-body system, named the dissipative-system Variational Quantum E…