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Determining quantum excited states is crucial across physics and chemistry but presents significant challenges for variational methods, primarily due to the need to enforce orthogonality to lower-energy states, often requiring…

Quantum Physics · Physics 2025-05-01 Shi-Xin Zhang , Lei Wang

Quantum simulators offer the potential to utilize the quantum nature of a physical system to study another physical system. In contrast to conventional simulation, which experiences an exponential increase in computational complexity,…

Quantum Physics · Physics 2024-07-24 Xuliang Du , Yang Shen , Zipeng Wu , Bei Zeng , Sen Yang

Great efforts have been dedicated in recent years to explore practical applications for noisy intermediate-scale quantum (NISQ) computers, which is a fundamental and challenging problem in quantum computing. As one of the most promising…

The recent developments of quantum computing present potential novel pathways for quantum chemistry, as the increased computational power of quantum computers could be harnessed to naturally encode and solve electronic structure problems.…

Quantum Physics · Physics 2024-03-01 Lila Cadi Tazi , Alex J. W. Thom

Excited states of many-body quantum systems play a key role in a wide range of physical and chemical phenomena. Unlike ground states, for which many efficient variational techniques exist, there are few ways to systematically construct…

Quantum Physics · Physics 2025-08-04 D. A. Millar , L. W. Anderson , E. Altamura , O. Wallis , M. E. Sahin , J. Crain , S. J. Thomson

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…

Quantum Physics · Physics 2020-10-13 Rongxin Xia , Sabre Kais

The variational quantum eigensolver (VQE) is a hybrid algorithm that has the potential to provide a quantum advantage in practical chemistry problems that are currently intractable on classical computers. VQE trains parameterized quantum…

Quantum Physics · Physics 2023-11-10 Quoc Hoan Tran , Shinji Kikuchi , Hirotaka Oshima

Accurate exchange-correlation (XC) potentials are essential for density functional theory, yet reliable approximations remain challenging for strongly correlated systems. In this work, we present a quantum algorithmic framework to determine…

Strongly Correlated Electrons · Physics 2026-03-18 H. Arslan Hashim , Volodymyr M. Turkowski , Eduardo R. Mucciolo

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…

Quantum Physics · Physics 2026-04-13 Manuel Hagelueken , David A. Kreplin , Florian Wieland , Marco F. Huber , Marco Roth

Reducing circuit depth is essential for implementing quantum simulations of electronic structure on near-term quantum devices. In this work, we propose a variational quantum eigensolver (VQE) based perturbation theory algorithm to…

Quantum Physics · Physics 2024-01-17 Jie Liu , Zhenyu Li , Jinlong Yang

The variational quantum eigensolver (VQE) is a hybrid quantum-classical algorithm for finding the minimum eigenvalue of a Hamiltonian that involves the optimization of a parameterized quantum circuit. Since the resulting optimization…

Variational Quantum Algorithms (VQAs) are iterative algorithms suited to implementation on current-era quantum devices. VQAs employ classical optimization to minimize cost functions evaluated on quantum circuits. However, the extent to…

Quantum Physics · Physics 2025-11-05 Bikrant Bhattacharyya , Gokul Ravi

Variational representations of quantum states abound and have successfully been used to guess ground-state properties of quantum many-body systems. Some are based on partial physical insight (Jastrow, Gutzwiller projected, and fractional…

Quantum Physics · Physics 2019-12-18 Douglas Hendry , Adrian E. Feiguin

Solving non-Hermitian quantum many-body systems on a quantum computer by minimizing the variational energy is challenging as the energy can be complex. Here, based on energy variance, we propose a variational method for solving the…

Quantum Physics · Physics 2024-02-21 Xu-Dan Xie , Zheng-Yuan Xue , Dan-Bo Zhang

We propose a variational quantum algorithm for estimating microcanonical expectation values in models obeying the eigenstate thermalization hypothesis. Using a relaxed criterion for convergence of the variational optimization loop, the…

Quantum Physics · Physics 2023-10-16 Klée Pollock , Peter P. Orth , Thomas Iadecola

We propose an adaptive random quantum algorithm to obtain an optimized eigensolver. Specifically, we introduce a general method to parametrize and optimize the probability density function of a random number generator, which is the core of…

Adaptive ansatz construction has emerged as a powerful technique for reducing circuit depth and improving optimization efficiency in variational quantum eigensolvers. However, existing adaptive methods, including ADAPT-VQE, rely solely on…

Quantum Physics · Physics 2026-03-12 Mohammad Aamir Sohail , Toshiaki Koike-Akino

Variational quantum eigensolvers (VQEs) are successful algorithms for studying physical systems on quantum computers. Recently, they were extended to the measurement-based model of quantum computing, bringing resource graph states and their…

Quantum Physics · Physics 2024-06-27 Albie Chan , Zheng Shi , Luca Dellantonio , Wolfgang Dür , Christine A. Muschik

The Variational Quantum Algorithms (VQAs) are hybrid quantum-classical algorithms and they can be used in the Nosiy Intermadiate Scale Quantum (NISQ) devises. The Variational Quantum Eigensolver (VQE) was suggested as a first VQA. VQE is…

Quantum Physics · Physics 2026-03-09 Murat Kurt , Ayda Kaltehei , Selçuk Çakmak , Azmi Gençten

Quantum simulation of strongly correlated systems is potentially the most feasible useful application of near-term quantum computers. Minimizing quantum computational resources is crucial to achieving this goal. A promising class of…

Quantum Physics · Physics 2023-06-14 V. O. Shkolnikov , Nicholas J. Mayhall , Sophia E. Economou , Edwin Barnes
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