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Sample-based quantum diagonalization (SQD) is an algorithm for hybrid quantum-classical molecular simulation that has been of broad interest for application with noisy intermediate scale quantum (NISQ) devices. However, SQD does not always…

Quantum Physics · Physics 2025-12-05 L. Andrew Wray , Cheng-Ju Lin , Vincent Su , Hrant Gharibyan

Near-term quantum devices provide only finite-shot measurements and prepare imperfect, contaminated states. This motivates algorithms that convert samples into reliable low-energy estimates without full tomography or exhaustive…

Quantum Physics · Physics 2026-05-12 Rinka Miura

Sample-based quantum diagonalization (SQD) constructs subspaces from computational-basis configurations obtained via measurements of a quantum state, with the goal of approximating low-energy eigenspaces of many-body Hamiltonians. The…

Quantum Physics · Physics 2026-05-07 Cedric Gaberle , Manpreet Singh Jattana

The simulation of molecular electronic structure is an important application of quantum devices. Recently, it has been shown that quantum devices can be effectively combined with classical supercomputing centers in the context of the…

Quantum Physics · Physics 2025-02-28 Stefano Barison , Javier Robledo Moreno , Mario Motta

Sample-based quantum diagonalization (SQD) is a hybrid quantum-classical algorithm for estimating ground-state energies in electronic-structure calculations. It uses a quantum processor as a sampler to construct a variational subspace, with…

Quantum Physics · Physics 2026-04-21 Byeongyong Park , Sanha Kang , Jongseok Seo , Juhee Baek , Doyeol Ahn , Keunhong Jeong

This thesis investigates sampling-based quantum algorithms for electronic ground state energy estimation, focusing on Quantum-Selected Configuration Interaction (QSCI) and Sample-Based Quantum Diagonalization (SQD) as near-term alternatives…

Quantum Physics · Physics 2025-09-29 Abdelmouheymen Rabah Khamadja , Mohamed Taha Rouabah

Quantum Selected Configuration Interaction (QSCI) and an extended protocol known as Sample-based Quantum Diagonalization (SQD) have emerged as promising algorithms to solve the electronic Schr\"odinger equation with noisy quantum computers.…

Quantum Physics · Physics 2025-08-26 Don Danilov , Javier Robledo-Moreno , Kevin J. Sung , Mario Motta , James Shee

Sample-based quantum diagonalization (SQD) offers a powerful route to accurate quantum chemistry on noisy intermediate-scale quantum (NISQ) devices by combining quantum sampling with classical diagonalization. Here we introduce HSQD, a…

Quantum Physics · Physics 2026-02-05 Shane McFarthing , Aidan Pellow-Jarman , Francesco Petruccione

Hybrid quantum-HPC algorithms advance research by delegating complex tasks to quantum processors and using HPC systems to orchestrate workflows and complementary computations. Sample-based quantum diagonalization (SQD) is a hybrid…

Accurately estimating ground-state energies of quantum many-body systems is still a challenging computational task because of the exponential growth of the Hilbert space with the system size. Sample-based diagonalization (SBD) methods…

Quantum algorithms based on classical processing of individual samples have recently emerged as the most effective and robust methods to approximate ground-state wave functions of many-body quantum systems on pre-fault-tolerant and…

Subspace diagonalization techniques based on quantum sampling, such as quantum selected configuration interaction (QSCI) and sample-based quantum diagonalization (SQD), have recently emerged as promising quantum-centric approaches for…

Quantum Physics · Physics 2026-05-28 Han Xu , Tomonori Shirakawa , Seiji Yunoki

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 hardware. The method is benchmarked on the two-leg ladder…

Quantum Physics · Physics 2025-05-05 Kosuke Nogaki , Steffen Backes , Tomonori Shirakawa , Seiji Yunoki , Ryotaro Arita

We apply the recently proposed Sample-based Krylov Quantum Diagonalization (SKQD) method to lattice gauge theories, using the Schwinger model with a $\theta$-term as a benchmark. SKQD approximates the ground state of a Hamiltonian,…

Variational Quantum Algorithm (VQA) is a hybrid algorithm for noisy quantum devices. However, statistical fluctuations and physical noise degrade the solution quality, so it is difficult to maintain applicability for large-scale problems.…

Quantum Physics · Physics 2025-04-18 Hiromichi Matsuyama , Yu Yamashiro

Ground-state estimation lies at the heart of a broad range of quantum simulations. Most near-term approaches are cast as variational energy minimization and thus inherit the challenges of problem-specific energy landscapes. We develop the…

Quantum Physics · Physics 2025-11-18 Kyunghyun Baek , Seungjin Lee , Joonsuk Huh , Dongkeun Lee , Jinhyoung Lee , M. S. Kim , Jeongho Bang

We assess the prospects for algorithms within the general framework of quantum annealing (QA) to achieve a quantum speedup relative to classical state of the art methods in combinatorial optimization and related sampling tasks. We argue for…

Quantum Physics · Physics 2021-06-22 E. J. Crosson , D. A. Lidar

We develop a quantum filter diagonalization method (QFD) that lies somewhere between the variational quantum eigensolver (VQE) and the phase estimation algorithm (PEA) in terms of required quantum circuit resources and conceptual…

Quantum Physics · Physics 2019-09-20 Robert M. Parrish , Peter L. McMahon

In this study, we explore how quantum pathfinding algorithm called Gaussian Amplitude Amplification (GAA) can be used to solve the DNA sequencing problem. To do this, sequencing by hybridization was assumed wherein short fragments of the…

Mesoscale and Nanoscale Physics · Physics 2023-11-01 Richard Marin , Carlos Baldo

Coupling qubits together towards large-scale integration is a key point for realizing a quantum computer. We study the capacitively coupled superconducting phase qubits using two diagonalization methods, which are very efficient to obtain…

Superconductivity · Physics 2009-11-11 Tao Wu , Zheng Li , Jianshe Liu
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