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20232026
most citedChemistry Beyond the Scale of Exact Diagonalization on a Quantum-Centric Supercomputer

91 citations · 101 across the 17 of their papers we have counts for

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20 papers

quant-ph2026

Sample-based Quantum Diagonalization via Density Matrix Renormalization Group

Yuto Sugimoto, Tomonori Shirakawa, Yukio Kawashima +2

We introduce SqDMRG, which combines sample-based quantum diagonalization (SQD) with the density matrix renormalization group (DMRG). SqDMRG expands the sampled determinant space in…

quant-ph2026

Broken-Symmetry Reference States for Sample-Based Quantum Diagonalization with Near-DMRG Accuracy

Kunal Kumar, Tomonori Shirakawa, Boseong Kim +7

Sample-based quantum diagonalization (SQD) accuracy remains limited for strongly correlated systems like iron-sulfur clusters. This accuracy heavily depends on the mean-field refer…

quant-ph2026

Resolving Structure in Prethermal Floquet Dynamics with Precision Quantum Computation

Eyal Leviatan, Tasneem Watad, Roy Perry +38

Periodically driven interacting quantum many-body systems can exhibit long-lived prethermal dynamics, where local observables retain coherent structure even as entanglement and ope…

quant-ph2026

Filter-assisted quantum subspace diagonalization via wavefunction sparsity engineering

Han Xu, Tomonori Shirakawa, Seiji Yunoki

Subspace diagonalization techniques based on quantum sampling, such as quantum selected configuration interaction (QSCI) and sample-based quantum diagonalization (SQD), have recent…

quant-ph2026

Noise and Configuration Recovery Impact on Quantum Selected Configuration Interaction

Nonia Vaquero-Sabater, Abel Carreras, Lukas Broers +3

Quantum-selected configuration interaction (QSCI) is a promising hybrid quantum-classical approach in which a quantum device generates configurations for subsequent classical diago…

quant-ph2026

High-Precision Variational Quantum SVD via Classical Orthogonality Correction

Shohei Miyakoshi, Takanori Sugimoto, Tomonori Shirakawa +2

Evaluating the entanglement spectrum is essential for characterizing exotic quantum phases such as quantum criticality and topological order. However, for large quantum many-body s…

quant-ph2026★ 1 cited

Crossing the 12,000-atom barrier with heterogeneous quantum-classical supercomputing: quantum chemistry of protein-ligand complexes

Kenneth M. Merz, Akhil Shajan, Danil Kaliakin +21

We develop a workflow decomposing a molecule into fragments via quantum embedding and simulating them with a heterogeneous quantum-classical (HQC) method. We sample fragment electr…

quant-ph2026

Phase transitions in parametrized quantum circuits

Xiaoyang Wang, Han Xu, Lukas Broers +2

Phase transitions are among the most intriguing phenomena in physical systems, yet their behavior near criticality remain challenging to study using classical algorithms. Parameter…

quant-ph2026

Probing many-body localization crossover in quasiperiodic Floquet circuits on a quantum processor

Kazuma Nagao, Tomonori Shirakawa, Rongyang Sun +2

Many-body localization (MBL) provides a mechanism by which interacting quantum systems evade thermalization, leading to persistent memory of initial conditions and slow entanglemen…

quant-ph2026

Observation of Improved Accuracy over Classical Sparse Ground-State Solvers using a Quantum Computer

William Kirby, Bibek Pokharel, Javier Robledo Moreno +25

Demonstrating quantum advantage over classical algorithms for ground state energy problems is an outstanding open problem in quantum computation. We experimentally demonstrate that…

cs.DC2026

GPU-Accelerated Selected Basis Diagonalization with Thrust for SQD-based Algorithms

Jun Doi, Tomonori Shirakawa, Yukio Kawashima +2

Selected Basis Diagonalization (SBD) plays a central role in Sample-based Quantum Diagonalization (SQD), where iterative diagonalization of the Hamiltonian in selected configuratio…

quant-ph2026

Extending the Handover-Iterative VQE to Challenging Strongly Correlated Systems: and Fe-S Cluster

Pilsun Yoo, Kyungmin Kim, Eyuel E. Elala +10

Accurately describing strongly correlated electronic systems remains a central challenge in quantum chemistry, as electron-electron interactions give rise to complex many-body wave…

quant-ph2025

Tensor computing application programming interface: An application-oriented, lightweight API for portable high-performance tensor network computations

Rong-Yang Sun, Tomonori Shirakawa, Hidehiko Kohshiro +2

Tensor networks (TNs) are a central computational tool in quantum science and artificial intelligence. However, the lack of a unified software interface across tensor-computing fra…

quant-ph2025

Closed-loop calculations of electronic structure on a quantum processor and a classical supercomputer at full scale

Tomonori Shirakawa, Javier Robledo-Moreno, Toshinari Itoko +18

Quantum computers must operate in concert with classical computers to deliver on the promise of quantum advantage for practical problems. To achieve that, it is important to unders…

quant-ph2025

Symmetry-adapted sample-based quantum diagonalization: Application to lattice model

Kosuke Nogaki, Steffen Backes, Tomonori Shirakawa +2

We present a symmetry-adapted extension of sample-based quantum diagonalization (SQD) that rigorously embeds space-group symmetry into the many-body subspace sampled by quantum har…

quant-ph2025

Digital quantum simulation of the Su-Schrieffer-Heeger model using a parameterized quantum circuit

Qing Xie, Kazuhiro Seki, Tomonori Shirakawa +1

We perform digital quantum simulations of the noninteracting Su-Schrieffer-Heeger (SSH) model using a parameterized quantum circuit. The circuit comprises two main components: the…

quant-ph2024★ 91 cited

Chemistry Beyond the Scale of Exact Diagonalization on a Quantum-Centric Supercomputer

Javier Robledo-Moreno, Mario Motta, Holger Haas +14

A universal quantum computer can simulate diverse quantum systems, with electronic structure for chemistry offering challenging problems for practical use cases around the hundred-…

quant-ph2024★ 5 cited

Unveiling clean two-dimensional discrete time crystals on a digital quantum computer

Kazuya Shinjo, Kazuhiro Seki, Tomonori Shirakawa +2

In periodically driven (Floquet) systems, evolution typically results in an infinite-temperature thermal state due to continuous energy absorption over time. However, before reachi…

quant-ph2023★ 4 cited

Improved real-space parallelizable matrix-product state compression and its application to unitary quantum dynamics simulation

Rong-Yang Sun, Tomonori Shirakawa, Seiji Yunoki

Towards the efficient simulation of near-term quantum devices using tensor network states, we introduce an improved real-space parallelizable matrix-product state (MPS) compression…

quant-ph2023

Diamond-shaped quantum circuit for real-time quantum dynamics in one dimension

S. Miyakoshi, T. Sugimoto, T. Shirakawa +2

In recent years, quantum computing has evolved as an exciting frontier, with the development of numerous algorithms dedicated to constructing quantum circuits that adeptly represen…