arXiv subjects

Keita Kanno

Publications and source records attributed to Keita Kanno.

16 recordsLinked to original sources

arXiv2026

Explicit Quantum Circuit Simulation of Nonlinear 1-Dimensional Fluid with Carleman-linearized Boltzmann Method

Quantum computation of fluid dynamics has attracted growing attention as a key application of fault-tolerant quantum computers anticipated in the coming decade, with lattice Boltzmann methods emerging as a particularly promising approach. Explicit and efficient elementary-gate-level circuit simulations, however, have so far been demonstrated only in the linear case. Here we include the leading nonlinearity through second-order Carleman linearization of the one-dimensional Boltzmann equation, and demonstrate, via explicit quantum-circuit simulation, the preparation of the final-time state using a Taylor-expansion-based ODE solver based on the quantum singular value transformation. With this construction, we analyze the gate and qubit complexities, which scale logarithmically with the grid size, the nonlinearity captured by the higher-order Carleman linearization, and the practical utility of higher-order expansions in the Taylor ODE solver. The construction provides a concrete baseline for computational cost reduction and further developments such as extensions to higher dimensions, complex geometries, and the extraction of physical quantities, towards industrially useful quantum CFD.

quant-ph↗

arXiv2026

Evaluating higher-order product formulae for molecular ground-state energy estimation

We evaluate deterministic higher-order product formulae for molecular ground-state energy estimation. Motivated by recent fault-tolerant architectures in which non-Clifford operations may be generated more locally and cheaply than in conventional assumptions, we re-examine such formulae as practical candidates for quantum chemistry. Using one-dimensional hydrogen chains from $\mathrm{H}_2$ to $\mathrm{H}_{15}$ as benchmarks, we estimate both the total gate count and the depth of $R_Z$-rotation layers required to reach a target energy error. To make this comparison feasible at larger system sizes, we use a perturbative method to estimate the eigenvalue error induced by each product formula and thereby evaluate the cost of the corresponding phase-estimation procedure. Among the previously considered formulae, the eighth-order construction introduced by Morales et al. [M. E. S. Morales et al., "Greatly improved higher-order product formulae for quantum simulation," arXiv:2210.15817v2 (2024)] minimizes both cost metrics in the benchmark at a chemically relevant target error. We also find that increasing the formal order does not automatically reduce the total cost: near chemical accuracy, the tenth-order formula introduced in the same work can be less efficient than the eighth-order one. Motivated by this observation, we construct a new fourth-order formula; it achieves the lowest total gate count among the formulae considered for all H-chain instances near chemical accuracy and over much of the 0.1-10 mHa target-error window for most instances, while also reducing the $R_Z$-layer depth. These results clarify how deterministic higher-order product formulae should be selected for molecular ground-state energy estimation.

quant-ph↗

arXiv2026

A Demonstration of Quantum Circuit Implementation for Obstacle Flow Using Carleman-Linearized Lattice Boltzmann Method

Fluid simulations, especially at high Reynolds numbers, are computationally expensive on classical computers, making them promising application targets for quantum computing. Recent studies have combined the lattice Boltzmann method (LBM) with Carleman linearization to design quantum algorithms for computational fluid dynamics (CFD). However, practical quantum-circuit implementations of these algorithms that incorporate non-periodic boundary conditions have not been fully explored. In this work, we implement a quantum algorithm for two-dimensional linearized fluid flow around an obstacle, using block-encoding of the linear-system matrix and quantum singular value transformation (QSVT) to solve it. Inflow, outflow, and no-slip boundary conditions are formulated as sparse matrix operations and efficiently embedded into quantum circuits using index-value encoding. We demonstrate logarithmic scaling of the required numbers of qubits and gates with respect to the number of lattice points, suggesting the potential feasibility of quantum-computational fluid dynamics simulations.

quant-ph↗

arXiv2025

On universality of hardware-efficient ansatzes

The hardware-efficient ansatz (HEA) is one of the most important class of parametrized quantum circuits for near-term applications of quantum computing. We show that the problem of simulating some major classes of the HEA is BQP-complete by explicitly demonstrating that any relevant quantum circuit can be efficiently represented as an HEA circuit of those classes.

quant-ph↗

arXiv2025

Orbital-rotated Fermi-Hubbard model as a benchmarking problem for quantum chemistry with the exact solution

Quantum chemistry is a key target for quantum computing, but benchmarking quantum algorithms for large molecular systems remains challenging due to the lack of exactly solvable yet structurally realistic models. In particular, molecular Hamiltonians typically contain $O(N^4)$ Pauli terms, significantly increasing the cost of quantum simulations, while many exactly solvable models, such as the one-dimensional Fermi-Hubbard (1D FH) model, contain only $O(N)$ terms. In this work, we introduce the orbital-rotated Fermi-Hubbard (ORFH) model as a scalable and exactly solvable benchmarking problem for quantum chemistry algorithms. Starting from the 1D FH model, we apply a spin-involved orbital rotation to construct a Hamiltonian that retains the exact ground-state energy but exhibits a Pauli term count scaling as $O(N^4)$, similar to real molecular systems. We analyze the ORFH Hamiltonian from multiple perspectives, including operator norm and electronic correlation. We benchmark variational quantum eigensolver (VQE) optimizers and Pauli term grouping methods, and compare their performance with those for hydrogen chains. Furthermore, we show that the ORFH Hamiltonian increases the computational difficulty for classical methods such as the density matrix renormalization group (DMRG), offering a nontrivial benchmark beyond quantum algorithms. Our results demonstrate that the ORFH model provides a versatile and scalable testbed for benchmarking quantum chemistry algorithms under realistic structural conditions, while maintaining exact solvability even at large system sizes.

quant-ph↗

arXiv2024

Quantum expectation value estimation by doubling the number of qubits

Expectation value estimation is ubiquitous in quantum algorithms. The expectation value of a Hamiltonian, which is essential in various practical applications, is often estimated by measuring a large number of Pauli strings on quantum computers and performing classical post-processing. In the case of $n$-qubit molecular Hamiltonians in quantum chemistry calculations, it is necessary to evaluate $O(n^4)$ Pauli strings, requiring a large number of measurements for accurate estimation. To reduce the measurement cost, we assess an existing idea that uses two copies of an $n$-qubit quantum state of interest and coherently measures them in the Bell basis, which enables the simultaneous estimation of the absolute values of expectation values of all the $n$-qubit Pauli strings. We numerically investigate the efficiency of energy estimation for molecular Hamiltonians of up to 12 qubits. The results show that, when the target precision is no smaller than tens of milli-Hartree, this method requires fewer measurements than conventional sampling methods. This suggests that the method may be useful for many applications that rely on expectation value estimation of Hamiltonians and other observables as well when moderate precision is sufficient.

quant-ph↗

arXiv2024

Bias-preserving computation with the bit-flip code

We explore the feasibility of fault-tolerant quantum computation using the bit-flip repetition code in a biased noise channel where only the bit-flip error can occur. While several logic gates can potentially produce phase-flip errors even in such a channel, we propose bias-preserving implementation of $S$, $H$, $\mathrm{CZ}$, and $R_z$ gates. We demonstrate that our scheme improves the computational precision in several tasks such as the time evolution of quantum systems and variational quantum eigensolver.

quant-ph↗

arXiv2024

Minimizing readout-induced noise for early fault-tolerant quantum computers

Quantum error correcting code can diagnose potential errors and correct them based on measured outcomes by leveraging syndrome measurement. However, mid-circuit measurement has been technically challenging for early fault-tolerant quantum computers and the readout-induced noise acts as a main contributor to the logical infidelity. We present a different method for syndrome extraction, namely Generalized Syndrome Measurement, that requires only a single-shot measurement on a single ancilla, while the canonical syndrome measurement requires multiple measurements to extract the eigenvalue for each stabilizer generator. As such, we can detect the error in the logical state with minimized readout-induced noise. By adopting our method as a pre-check routine for quantum error correcting cycles, we can significantly reduce the readout overhead, the idling time, and the logical error rate during syndrome measurement. We numerically analyze the performance of our protocol using Iceberg code and Steane code under realistic noise parameters based on superconducting hardware and demonstrate the advantage of our protocol in the near-term scenario. As mid-circuit measurements are still error-prone for near-term quantum hardware, our method may boost the applications of early fault-tolerant quantum computing.

quant-ph↗

arXiv2024

Almost optimal measurement scheduling of molecular Hamiltonian via finite projective plane

We propose an efficient and almost optimal scheme for measuring molecular Hamiltonians in quantum chemistry on quantum computers, which requires $2N^2$ distinct measurements in the leading order with $N$ being the number of molecular orbitals. It achieves the state-of-the-art by improving a previous proposal by Bonet-Monroig et al. [Phys. Rev. X 10, 031064 (2020)] which exhibits $\frac{10}{3}N^2$ scaling in the leading order. We develop a novel method based on a finite projective plane to construct sets of simultaneously-measurable operators contained in molecular Hamiltonians. Each measurement only requires a depth-$O(N)$ circuit consisting of $O(N^2)$ one- and two-qubit gates under the Jordan-Wigner and parity mapping, assuming the linear connectivity of qubits on quantum hardwares. Because evaluating expectation values of molecular Hamiltonians is one of the major bottlenecks in the applications of quantum devices to quantum chemistry, our finding is expected to accelerate such applications.

quant-ph↗

arXiv2023

Modal analysis on quantum computers via qubitization

Natural frequencies and normal modes are basic properties of a structure which play important roles in analyses of its vibrational characteristics. As their computation reduces to solving eigenvalue problems, it is a natural arena for application of quantum phase estimation algorithms, in particular for large systems. In this note, we take up some simple examples of (classical) coupled oscillators and show how the algorithm works by using qubitization methods based on a sparse structure of the matrix. We explicitly construct block-encoding oracles along the way, propose a way to prepare initial states, and briefly touch on a more generic oracle construction for systems with repetitive structure. As a demonstration, we also give rough estimates of the necessary number of physical qubits and actual runtime it takes when carried out on a fault-tolerant quantum computer.

quant-ph↗

arXiv2023

Computational analysis of chemical reactions using a variational quantum eigensolver algorithm without specifying spin multiplicity

The analysis of a chemical reaction along the ground state potential energy surface in conjunction with an unknown spin state is challenging because electronic states must be separately computed several times using different spin multiplicities to find the lowest energy state. However, in principle, the ground state could be obtained with just a single calculation using a quantum computer without specifying the spin multiplicity in advance. In the present work, ground state potential energy curves for PtCO were calculated as a proof-of-concept using a variational quantum eigensolver (VQE) algorithm. This system exhibits a singlet-triplet crossover as a consequence of the interaction between Pt and CO. VQE calculations using a statevector simulator were found to converge to a singlet state in the bonding region, while a triplet state was obtained at the dissociation limit. Calculations performed using an actual quantum device provided potential energies within $\pm$2 kcal/mol of the simulated energies after adopting error mitigation techniques. The spin multiplicities in the bonding and dissociation regions could be clearly distinguished even in the case of a small number of shots. The results of this study suggest that quantum computing can be a powerful tool for the analysis of the chemical reactions of systems for which the spin multiplicity of the ground state and variations in this parameter are not known in advance.

physics.chem-ph↗

arXiv2023

Quantum-Selected Configuration Interaction: classical diagonalization of Hamiltonians in subspaces selected by quantum computers

We propose quantum-selected configuration interaction (QSCI), a class of hybrid quantum-classical algorithms for calculating the ground- and excited-state energies of many-electron Hamiltonians on noisy quantum devices. Suppose that an approximate ground state can be prepared on a quantum computer either by variational quantum eigensolver or by some other method. Then, by sampling the state in the computational basis, which is hard for classical computation in general, one can identify the electron configurations that are important for reproducing the ground state. The Hamiltonian in the subspace spanned by those important configurations is diagonalized on classical computers to output the ground-state energy and the corresponding eigenvector. The excited-state energies can be obtained similarly. The result is robust against statistical and physical errors because the noisy quantum devices are used only to define the subspace, and the resulting ground-state energy strictly satisfies the variational principle even in the presence of such errors. The expectation values of various other operators can also be estimated for obtained eigenstates with no additional quantum cost, since the explicit eigenvectors in the subspaces are known. We verified our proposal by numerical simulations, and demonstrated it on a quantum device for an 8-qubit molecular Hamiltonian. The proposed algorithms are potentially feasible to tackle some challenging molecules by exploiting quantum devices with several tens of qubits, assisted by high-performance classical computing resources for diagonalization.

quant-ph↗

arXiv2022

Quantum expectation-value estimation by computational basis sampling

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 for statistical convergence to meet requirements of precision, such as chemical accuracy in the application to quantum chemistry computations. Here we propose an algorithm to estimate the expectation value based on its approximate expression as a weighted sum of classically-tractable matrix elements with some modulation, where the weight and modulation factors are evaluated by sampling appropriately prepared quantum states in the computational basis on quantum computers. Each of those states is prepared by applying a unitary transformation consisting of at most N CNOT gates, where N is the number of qubits, to a target quantum state whose expectation value is evaluated. Our algorithm is expected to require fewer measurements than conventional methods for a required statistical precision of the expectation value when the target quantum state is concentrated in particular computational basis states. We provide numerical comparisons of our method with existing ones for measuring electronic ground state energies (expectation values of electronic Hamiltonians for the lowest-energy states) of various small molecules. Numerical results show that our method can reduce the numbers of measurements to obtain the ground state energies for a targeted precision by several orders of magnitudes for molecules whose ground states are concentrated. Our results provide another route to measure expectation values of observables, which could accelerate the variational quantum algorithms.

quant-ph↗

arXiv2021

Molecular Structure Optimization based on Electrons-Nuclei Quantum Dynamics Computation

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 electrons, and the many-body wave function of the system is optimized by the imaginary time evolution method. A demonstration with a 2-dimensional H$^+_2$ molecule shows that the optimized nuclear positions can be specified with a small number of observations. This method is considered to be suitable for quantum computers, the development of which will realize its application as a powerful method.

quant-ph↗

arXiv2021

W=0 Complex Structure Moduli Stabilization on CM-type K3 x K3 Orbifolds:---Arithmetic, Geometry and Particle Physics---

It is an important question in string compactification whether complex structure moduli stabilization inevitably ends up with a vacuum expectation value of the superpotential < W > of the order of the Planck scale cubed. Any thoughts on volume stabilization and inflation in string theory, as well as on phenomenology of supersymmetric Standard Models, will be affected by the answer to this question. In this work, we follow an idea for making < W > $\simeq$ 0 where the internal manifold has a vacuum complex structure with arithmetic characterization, and address Calabi--Yau fourfold compactification of F-theory. The moduli space of K3 x K3 orbifolds contain infinitely many such vacua. Arithmetic conditions for a < W > =0 flux are worked out, and then all the K3 moduli have supersymmetric mass. Possible gauge groups, matter representations and discrete symmetries are studied for the case of Z_2-orbifolds.

hep-th↗

arXiv2017

Revisiting arithmetic solutions to the $W=0$ condition

The gravitino mass is expected not to be much smaller than the Planck scale for a large fraction of vacua in flux compactifications. There is no continuous parameter to tune even by hand, and it seems that the gravitino mass can be small only as a result of accidental cancellation among period integrals weighted by integer-valued flux quanta. DeWolfe et.al. (2005) proposed to pay close attention to vacua where the Hodge decomposition is possible within a number field, so that the precise cancellation takes place as a result of algebra. We focus on a subclass of those vacua---those with complex multiplications---and explore more on the idea in this article. It turns out, in Type IIB compactifications, that those vacua admit non-trivial supersymmetric flux configurations if and only if the reflex field of the Weil intermediate Jacobian is isomorphic to the quadratic imaginary field generated by the axidilaton vacuum expectation value. We also found that flux statistics is highly enriched on such vacua, as F-term conditions become linearly dependent.

hep-th↗