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Variational quantum eigensolvers (VQE) are among the most promising approaches for solving electronic structure problems on near-term quantum computers. A critical challenge for VQE in practice is that one needs to strike a balance between…

Variational quantum eigensolvers (VQEs) are among the most promising quantum algorithms for solving electronic structure problems in quantum chemistry, particularly during the Noisy Intermediate-Scale Quantum (NISQ) era. In this study, we…

Quantum Physics · Physics 2026-05-07 Abel Carreras , David Casanova , Román Orús

The variational quantum eigensolver (VQE) is a promising method for simulating molecular systems on near-term quantum computers. This approach employs energy estimation; however, other relevant molecular properties can be extracted from the…

The Variational Quantum Eigensolver (VQE) is a promising tool for simulating ground states of quantum many-body systems on noisy quantum computers. Its effectiveness relies heavily on the ansatz, which must be both hardware-efficient for…

Quantum Physics · Physics 2025-06-05 Alina Joch , Götz S. Uhrig , Benedikt Fauseweh

Highly excited states of quantum many-body systems are central objects in the study of quantum dynamics and thermalization that challenge classical computational methods due to their volume-law entanglement content. In this work, we explore…

Quantum Physics · Physics 2022-02-17 Feng Zhang , Niladri Gomes , Yongxin Yao , Peter P. Orth , Thomas Iadecola

We compare the performance of different methodologies for finding the ground state of the molecule BeH2. We implement adaptive, tetris-adaptive variational quantum eigensolver (VQE), and entanglement forging to reduce computational resource…

Quantum Physics · Physics 2024-07-24 Tushar Pandey , Jason Saroni , Abdullah Kazi , Kartik Sharma

The variational quantum eigensolver (VQE) is one of the most promising algorithms for low-lying eigenstates calculation on Noisy Intermediate-Scale Quantum (NISQ) computers. Specifically, VQE has achieved great success for ground state…

Numerical Analysis · Mathematics 2025-12-19 Hengzhun Chen , Yingzhou Li , Bichen Lu , Jianfeng Lu

The variational quantum eigensolver (VQE) is an attracting possible application of near-term quantum computers. Originally, the aim of the VQE is to find a ground state for a given specific Hamiltonian. It is achieved by minimizing the…

Quantum Physics · Physics 2019-04-30 Kosuke Mitarai , Tennin Yan , Keisuke Fujii

Mixed discrete-continuous optimization is central to engineering design, where discrete choices interact with continuous fields. These problems are difficult due to high-dimensional, complex search spaces. To tackle them, Quantum Annealing…

Computational Engineering, Finance, and Science · Computer Science 2026-03-19 Fabian Key , Lukas Freinberger , Mayu Muramatsu , Norbert Hosters

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.…

Recent quantum algorithms pertaining to electronic structure theory primarily focus on threshold-based dynamic construction of ansatz by selectively including important many-body operators. These methods can be made systematically more…

Quantum Physics · Physics 2024-08-26 Chayan Patra , Debaarjun Mukherjee , Sonaldeep Halder , Dibyendu Mondal , Rahul Maitra

Quantum computers promise to efficiently solve important problems that are intractable on a conventional computer. For quantum systems, where the dimension of the problem space grows exponentially, finding the eigenvalues of certain…

Quantization is a fundamental optimization for many machine-learning use cases, including compressing gradients, model weights and activations, and datasets. The most accurate form of quantization is \emph{adaptive}, where the error is…

Machine Learning · Computer Science 2025-08-01 Ran Ben-Basat , Yaniv Ben-Itzhak , Michael Mitzenmacher , Shay Vargaftik

The variational quantum eigensolver (VQE) algorithm, designed to calculate the energy of molecular ground states on near-term quantum computers, requires specification of symmetries that describe the system, e.g. spin state and number of…

Quantum Physics · Physics 2020-06-18 Gabriel Greene-Diniz , David Muñoz Ramo

Adaptive protocols enable the construction of more efficient state preparation circuits in variational quantum algorithms (VQAs) by utilizing data obtained from the quantum processor during the execution of the algorithm. This idea…

Variational quantum eigensolver (VQE) optimizes parameterized eigenstates of a Hamiltonian on a quantum processor by updating parameters with a classical computer. Such a hybrid quantum-classical optimization serves as a practical way to…

Quantum Physics · Physics 2020-03-18 Dan-Bo Zhang , Tao Yin

Variational quantum eigensolvers (VQEs) are a promising class of quantum algorithms for preparing approximate ground states in near-term quantum devices. Minimizing the error in such an approximation requires designing ansatzes using…

Quantum Physics · Physics 2021-12-06 Y. Herasymenko , T. E. O'Brien

The optimization of circuit parameters of variational quantum algorithms such as the variational quantum eigensolver (VQE) or the quantum approximate optimization algorithm (QAOA) is a key challenge for the practical deployment of near-term…

Quantum Physics · Physics 2019-04-09 Robert M. Parrish , Joseph T. Iosue , Asier Ozaeta , Peter L. McMahon

Quantum computing brings a promise of new approaches into computational quantum chemistry. While universal, fault-tolerant quantum computers are still not available, we want to utilize today's noisy quantum processors. One of their flagship…

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