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The variational quantum eigensolver (VQE) is one of the most appealing quantum algorithms to simulate electronic structure properties of molecules on near-term noisy intermediate-scale quantum devices. In this work, we generalize the VQE…

Quantum Physics · Physics 2022-06-09 Jie Liu , Lingyun Wan , Zhenyu Li , Jinlong Yang

An arbitrary operator corresponding to a physical observable cannot be measured in a single measurement on currently available quantum hardware. To obtain the expectation value of the observable, one needs to partition its operator to…

Quantum Physics · Physics 2021-12-07 Tzu-Ching Yen , Artur F. Izmaylov

Quantum computing presents a promising alternative for the direct simulation of quantum systems with the potential to explore chemical problems beyond the capabilities of classical methods. However, current quantum algorithms are…

In this work we present a detailed analysis of variational quantum phase estimation (VQPE), a method based on real-time evolution for ground and excited state estimation on near-term hardware. We derive the theoretical ground on which the…

The design of a good algorithm to solve NP-hard combinatorial approximation problems requires specific domain knowledge about the problems and often needs a trial-and-error problem solving approach. Graph coloring is one of the essential…

Quantum error mitigation (QEM) is crucial for obtaining reliable results on quantum computers by suppressing quantum noise with moderate resources. It is a key factor for successful and practical quantum algorithm implementations in the…

Quantum Physics · Physics 2023-08-28 Shi-Xin Zhang , Zhou-Quan Wan , Chang-Yu Hsieh , Hong Yao , Shengyu Zhang

One of the challenging scientific computing problems is topology optimization, where searching through the combinatorially complex configurations and solving the constraints of partial differential equations need to be done simultaneously.…

Quantum Physics · Physics 2025-03-05 Jungin E. Kim , Yan Wang

Hybrid algorithms that combine quantum and classical resources have become commonplace in quantum computing. The variational quantum eigensolver (VQE) is routinely used to solve prototype problems. Currently, hybrid algorithms use no more…

Quantum Physics · Physics 2024-08-27 Manpreet Singh Jattana

We propose a hybrid variational quantum algorithm that has variational parameters used by both the quantum circuit and the subsequent classical optimization. Similar to the Variational Quantum Eigensolver (VQE), this algorithm applies a…

Quantum Physics · Physics 2025-12-05 John P. T. Stenger , C. Stephen Hellberg , Daniel Gunlycke

The variational quantum eigensolver (VQE) is a promising algorithm for demonstrating quantum advantage in the noisy intermediate-scale quantum (NISQ) era. However, optimizing VQE from random initial starting parameters is challenging due to…

Quantum Physics · Physics 2023-10-20 Abid Khan , Bryan K. Clark , Norm M. Tubman

The optimization of measurements for the state distinction problem has recently been applied to the theory of quantum algorithms with considerable successes, including efficient new quantum algorithms for the non-abelian hidden subgroup…

Quantum Physics · Physics 2008-03-26 Dave Bacon , Thomas Decker

The Variational Quantum Eigensolver (VQE), as a hybrid quantum-classical algorithm, is an important tool for effective quantum computing in the current noisy intermediate-scale quantum (NISQ) era. However, the traditional hardware-efficient…

Strongly Correlated Electrons · Physics 2025-11-20 Shaohui Yao , Wenyu Wang

Recent advances in quantum technology have led to the development and manufacturing of experimental programmable quantum annealers that promise to solve certain combinatorial optimization problems of practical relevance faster than their…

Quantum Physics · Physics 2016-05-31 Itay Hen , Federico M. Spedalieri

In this work, we propose and analyze optimization strategies for the VQE algorithm that combine various methods, including molecular point group symmetries (symmetry adaptation), compact excitation circuits (qubit-excitation-based),…

Quantum Physics · Physics 2025-04-30 Konstantin M. Makushin , Aleksey K. Fedorov

Current quantum computers are limited in the number of qubits and coherence time, constraining the algorithms executable with sufficient fidelity. The variational quantum eigensolver (VQE) is an algorithm to find an approximate ground state…

Quantum Physics · Physics 2023-01-24 Luca Erhart , Kosuke Mitarai , Wataru Mizukami , Keisuke Fujii

Variational quantum algorithms (VQAs) have emerged as a promising approach for achieving quantum advantage on current noisy intermediate-scale quantum devices. However, their large-scale applications are significantly hindered by…

Quantum Physics · Physics 2026-03-03 Shikun Zhang , Zheng Qin , Yongyou Zhang , Yang Zhou , Rui Li , Chunxiao Du , Zhisong Xiao

The Variational Quantum Eigensolver (VQE) is a hybrid quantum-classical algorithm for computing ground state energies of molecular systems. We implement VQE to calculate the potential energy surface of the hydrogen molecule (H$_2$) across…

Quantum Physics · Physics 2026-01-16 Rylan Malarchick , Ashton Steed

Quantum annealing has the potential to find low energy solutions of NP-hard problems that can be expressed as quadratic unconstrained binary optimization problems. However, the hardware of the quantum annealer manufactured by D-Wave…

Quantum Physics · Physics 2024-01-22 Elijah Pelofske , Georg Hahn , Hristo N. Djidjev

Variational Quantum Eigensolvers (VQE) are a promising approach for finding the classically intractable ground state of a Hamiltonian. The Unitary Block Optimization Scheme (UBOS) is a state-of-the-art VQE method which works by sweeping…

Quantum Physics · Physics 2024-11-04 Xiaochuan Ding , Bryan K. Clark

Current noisy intermediate-scale quantum (NISQ) devices remain limited in their ability to perform accurate quantum chemistry simulations due to restricted numbers of high-fidelity qubits and short coherence times. To overcome these…

Quantum Physics · Physics 2026-04-23 Yuhan Zheng , Yibin Guo , Huili Zhang , Jie Liu , Xiongzhi Zeng , Xiaoxia Cai , Zhenyu Li , Jinlong Yang
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