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Variational quantum algorithms (VQAs) are a modern family of quantum algorithms designed to solve optimization problems using a quantum computer. Typically VQAs rely on a feedback loop between the quantum device and a classical optimization…

量子物理 · 物理学 2022-08-26 Alexey Uvarov

We introduce the Cyclic Variational Quantum Eigensolver (CVQE), a hardware-efficient framework for accurate ground-state quantum simulation on noisy intermediate-scale quantum (NISQ) devices. CVQE departs from conventional VQE by…

量子物理 · 物理学 2025-09-17 Hao Zhang , Ayush Asthana

We present a self consistent field approach (SCF) within the Adaptive Derivative-Assembled Problem-Tailored Ansatz Variational Quantum Eigensolver (ADAPT-VQE) framework for efficient quantum simulations of chemical systems on near-term…

We present a hardware-efficient optimization scheme for quantum chemistry calculations, utilizing the Sampled Quantum Diagonalization (SQD) method. Our algorithm, optimized SQD (SQDOpt), combines the classical Davidson method technique with…

量子物理 · 物理学 2025-03-05 Nora Bauer , Kübra Yeter-Aydeniz , George Siopsis

Variational quantum algorithms on bosonic quantum processors are an emerging paradigm for quantum chemistry calculations, exploiting the natural alignment between molecular structure and harmonic oscillator-based hardware. We introduce the…

量子物理 · 物理学 2026-04-21 Marlon F. Jost , Sijia S. Dong

We report the experimental resource-efficient implementation of the variational quantum eigensolver (VQE) using four-dimensional photonic quantum states of single-photons. The four-dimensional quantum states are implemented by utilizing…

The state-of-the-art quantum computing hardware has entered the noisy intermediate-scale quantum (NISQ) era. Having been constrained by the limited number of qubits and shallow circuit depth, NISQ devices have nevertheless demonstrated the…

量子物理 · 物理学 2022-06-23 Guanglei Xu , Yi-Bin Guo , Xuan Li , Zong-Sheng Zhou , Hai-Jun Liao , T. Xiang

The Variational Quantum Eigensolver (VQE) is widely regarded as a promising algorithm for calculating ground states of quantum systems that are intractable for classical computers. This promise is typically motivated by the hope of…

量子物理 · 物理学 2026-04-13 Manuel Hagelueken , David A. Kreplin , Florian Wieland , Marco F. Huber , Marco Roth

Variational quantum eigensolver (VQE) for electronic structure calculations is believed to be one major potential application of near term quantum computing. Among all proposed VQE algorithms, the unitary coupled cluster singles and doubles…

量子物理 · 物理学 2020-10-13 Rongxin Xia , Sabre Kais

The Variational Quantum Eigensolver (VQE) is one the most perspective algorithms for simulation of quantum many body physics that have recently attached a lot of attention and believed would be practical for implementation on the near term…

量子物理 · 物理学 2021-05-03 Belozerova Polina , Shangareev Arthur , Zotov Yuriy , Yung Manhong , lv Dingshun

Variational Quantum Algorithms (VQAs) are expected to be promising algorithms with quantum advantages that can be run at quantum computers in the close future. In this work, we review simple rules in basic quantum circuits, and propose a…

量子物理 · 物理学 2023-12-12 Jaehoon Hahm , Hayeon Kim , Young June Park

Advances in quantum simulator technology is increasingly required because research on quantum algorithms is becoming more sophisticated and complex. State vector simulation utilizes CPU and memory resources in computing nodes exponentially…

量子物理 · 物理学 2024-09-04 Mikio Morita , Yoshinori Tomita , Junpei Koyama , Koichi Kimura

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…

量子物理 · 物理学 2026-01-16 Rylan Malarchick , Ashton Steed

As quantum computing approaches its first commercial implementations, quantum simulation emerges as a potentially ground-breaking technology for several domains, including Biology and Chemistry. However, taking advantage of quantum…

Quantum chemistry is a near-term application for quantum computers. This application may be facilitated by variational quantum-classical algorithms (VQCAs), although a concern for VQCAs is the large number of measurements needed for…

量子物理 · 物理学 2020-04-15 Andrew Arrasmith , Lukasz Cincio , Rolando D. Somma , Patrick J. Coles

Quantum Computing is believed to be the ultimate solution for quantum chemistry problems. Before the advent of large-scale, fully fault-tolerant quantum computers, the variational quantum eigensolver~(VQE) is a promising heuristic quantum…

量子物理 · 物理学 2023-12-06 Chu Guo , Yi Fan , Zhiqian Xu , Honghui Shang

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), which is a method to calculate eigenenergies of a given…

化学物理 · 物理学 2023-04-19 Yuya O. Nakagawa , Jiabao Chen , Shotaro Sudo , Yu-ya Ohnishi , Wataru Mizukami

The variational quantum eigensolver (VQE) algorithm combines the ability of quantum computers to efficiently compute expectation values with a classical optimization routine in order to approximate ground state energies of quantum systems.…

While numerical simulations are presented in most papers introducing new methods to enhance the VQE performance, comprehensive, comparative, and applied studies remain relatively rare. We present a comprehensive, yet concise guide for the…

The variational approach is a cornerstone of computational physics, considering both conventional and quantum computing computational platforms. The variational quantum eigensolver (VQE) algorithm aims to prepare the ground state of a…

量子物理 · 物理学 2022-12-16 Nikita Astrakhantsev , Guglielmo Mazzola , Ivano Tavernelli , Giuseppe Carleo