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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…

量子物理 · 物理学 2026-05-07 Abel Carreras , David Casanova , Román Orús

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…

The variational quantum eigensolver (VQE) is one of the most promising algorithms to find eigenvalues and eigenvectors of a given Hamiltonian on noisy intermediate-scale quantum (NISQ) devices. A particular application is to obtain ground…

Recent advances in quantum computing devices have brought attention to hybrid quantum-classical algorithms like the Variational Quantum Eigensolver (VQE) as a potential route to practical quantum advantage in chemistry. However, it is not…

The Variational Quantum Eigensolver (VQE) is a promising quantum algorithm for applications in chemistry within the Noisy Intermediate-Scale Quantum (NISQ) era. The ability for a quantum computer to simulate electronic structures with high…

The Variational Quantum Eigensolver (VQE) algorithm has been developed to target near term Noisy Intermediate Scale Quantum (NISQ) computers as a method to find the eigenvalues of Hamiltonians. Unlike fully quantum algorithms such as…

量子物理 · 物理学 2026-02-13 Taylor Harville , Rishu Khurana , Vitor F. Grizzi , Cong Liu

The realization of quantum advantage with noisy-intermediate-scale quantum (NISQ) machines has become one of the major challenges in computational sciences. Maintaining coherence of a physical system with more than ten qubits is a critical…

The ability to simulate a fermionic system on a quantum computer is expected to revolutionize chemical engineering, materials design, nuclear physics, to name a few. Thus, optimizing the simulation circuits is of significance in harnessing…

量子物理 · 物理学 2021-07-28 Qingfeng Wang , Ming Li , Christopher Monroe , Yunseong Nam

The variational quantum eigensolver (or VQE) uses the variational principle to compute the ground state energy of a Hamiltonian, a problem that is central to quantum chemistry and condensed matter physics. Conventional computing methods are…

As the advances in quantum hardware bring us into the noisy intermediate-scale quantum (NISQ) era, one possible task we can perform without quantum error correction using NISQ machines is the variational quantum eigensolver (VQE) due to its…

量子物理 · 物理学 2020-07-29 Zhenyu Cai

Quantum computers are expected to be highly beneficial for chemistry simulations, promising significant improvements in accuracy and speed. The most prominent algorithm for chemistry simulations on NISQ devices is the Variational Quantum…

量子物理 · 物理学 2022-09-27 Marita Oliv , Andrea Matic , Thomas Messerer , Jeanette Miriam Lorenz

Quantum computing presents a promising path toward precise quantum chemical simulations, particularly for systems that challenge classical methods. This work investigates the performance of the Variational Quantum Eigensolver (VQE) in…

量子物理 · 物理学 2025-10-28 Zakaria Boutakka , Nouhaila Innan , Muhammed Shafique , Mohamed Bennai , Z. Sakhi

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…

量子物理 · 物理学 2026-04-23 Yuhan Zheng , Yibin Guo , Huili Zhang , Jie Liu , Xiongzhi Zeng , Xiaoxia Cai , Zhenyu Li , Jinlong Yang

Harnessing the full power of nascent quantum processors requires the efficient management of a limited number of quantum bits with finite lifetime. Hybrid algorithms leveraging classical resources have demonstrated promising initial results…

Variational quantum eigensolver (VQE) is demonstrated to be the promising methodology for quantum chemistry based on near-term quantum devices. However, many problems are yet to be investigated for this methodology, such as the influences…

化学物理 · 物理学 2021-01-18 Xian-Hu Zha , Chao Zhang , Dengdong Fan , Pengxiang Xu , Shiyu Du , Rui-Qin Zhang , Chen Fu

The Variational Quantum Eigensolver (VQE) is a promising algorithm for quantum computing applications in chemistry and materials science, particularly in addressing the limitations of classical methods for complex systems. This study…

量子物理 · 物理学 2025-02-25 Nia Pollard , Kamal Choudhary

Variational Quantum Eigensolver (VQE) is a promising algorithm for near-term quantum machines. It can be used to estimate the ground state energy of a molecule by performing separate measurements of $O(N^4)$ terms. Several recent papers…

量子物理 · 物理学 2019-09-02 Pranav Gokhale , Frederic T. Chong

The Variational Quantum Eigensolver (VQE) is one of the most promising and widely used algorithms for exploiting the capabilities of current Noisy Intermediate-Scale Quantum (NISQ) devices. However, VQE algorithms suffer from a plethora of…

Quantum computing is viewed as a promising technology because of its potential for polynomial growth in complexity, in contrast to the exponential growth observed in its classical counterparts. In the current Noisy Intermediate-Scale…

化学物理 · 物理学 2026-01-13 Maitreyee Sarkar , Lisa Roy , Akash Gutal , Atul Kumar , Manikandan Paranjothy

Variational quantum eigensolver (VQE) is a hybrid quantum-classical algorithm designed for noisy intermediate-scale quantum (NISQ) computers. It is promising for quantum chemical calculations (QCC) because it can calculate the ground-state…

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