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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

Development of resource-friendly quantum algorithms remains highly desirable for noisy intermediate-scale quantum computing. Based on the variational quantum eigensolver (VQE) with unitary coupled cluster ansatz, we demonstrate that…

We use the Variational Quantum Eigensolver (VQE) as implemented in the Qiskit software package to compute the ground state energy of small molecules derived from water, H$_2$O, and hydrogen cyanide, HCN. The work aims to benchmark…

Quantum Physics · Physics 2021-07-07 P. Lolur , M. Rahm , M. Skogh , L. García-Álvarez , G. Wendin

Variational quantum eigensolvers (VQEs) are one of the most important and effective applications of quantum computing, especially in the current noisy intermediate-scale quantum (NISQ) era. There are mainly two ways for VQEs:…

Quantum Physics · Physics 2024-11-19 Xin Wang , Bo Qi , Yabo Wang , Daoyi Dong

The ADAPT-VQE algorithm is a promising method for generating a compact ansatz based on derivatives of the underlying cost function, and it yields accurate predictions of electronic energies for molecules. In this work we report the…

The emerging field of quantum simulation of many-body systems is widely recognized as a very important application of quantum computing. A crucial step towards its realization in the context of many-electron systems requires a rigorous…

Atomic Physics · Physics 2021-08-23 Sumeet , V. S. Prasannaa , B. P. Das , B. K. Sahoo

The exact evaluation of the molecular ground state in quantum chemistry requires an exponentially increasing computational cost. Quantum computation is a promising way to overcome the exponential problem using polynomial-time quantum…

Quantum Physics · Physics 2023-05-30 Changsu Cao , Jiaqi Hu , Wengang Zhang , Xusheng Xu , Dechin Chen , Fan Yu , Jun Li , Hanshi Hu , Dingshun Lv , Man-Hong Yung

The Variational Quantum Eigensolver (VQE) is a promising candidate for quantum applications on near-term Noisy Intermediate-Scale Quantum (NISQ) computers. Despite a lot of empirical studies and recent progress in theoretical understanding…

Quantum Physics · Physics 2022-05-26 Xuchen You , Shouvanik Chakrabarti , Xiaodi Wu

The ability of quantum computers to overcome the exponential memory scaling of many-body problems is expected to transform quantum chemistry. Quantum algorithms require accurate representations of electronic states on a quantum device, but…

Chemical Physics · Physics 2024-04-26 Hugh G. A. Burton

Quantum chemistry is envisioned as an early and disruptive application for quantum computers. Yet, closer scrutiny of the proposed algorithms shows that there are considerable difficulties along the way. Here, we propose two criteria for…

Quantum Physics · Physics 2026-04-09 Thibaud Louvet , Thomas Ayral , Xavier Waintal

Variational quantum algorithms exploit the features of superposition and entanglement to optimize a cost function efficiently by manipulating the quantum states. They are suitable for noisy intermediate-scale quantum (NISQ) computers that…

Quantum Physics · Physics 2023-08-29 Yunya Liu , Jiakun Liu , Jordan R. Raney , Pai Wang

Quantum computing has gained a lot of attention recently, and scientists have seen potential applications in this field using quantum computing for Cryptography and Communication to Machine Learning and Healthcare. Protein folding has been…

Quantum Physics · Physics 2022-11-16 Hasan Mustafa , Sai Nandan Morapakula , Prateek Jain , Srinjoy Ganguly

ADAPT-VQE is a robust algorithm for hybrid quantum-classical simulations of quantum chemical systems on near-term quantum computers. While its iterative process systematically reaches the ground state energy, ADAPT-VQE is sensitive to local…

Quantum spin systems may offer the first opportunities for beyond-classical quantum computations of scientific interest. While general quantum simulation algorithms likely require error-corrected qubits, there may be applications of…

Classical simulation of molecular systems is limited by exponential scaling, a hurdle quantum algorithms like Variational Quantum Eigensolvers (VQEs) aim to overcome. Although ADAPT-VQE enhances VQEs by dynamically building ans\"atze, it…

Quantum Physics · Physics 2025-06-23 Tatiana A. Bespalova , Oumaya Ladhari , Guido Masella

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

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…

Chemical Physics · Physics 2021-01-18 Xian-Hu Zha , Chao Zhang , Dengdong Fan , Pengxiang Xu , Shiyu Du , Rui-Qin Zhang , Chen Fu

Quantum computing has emerged as a promising technology for solving problems that are intractable for classical computers. In this study, we introduce quantum computing and implement the Variational Quantum Eigensolver (VQE) algorithm using…

Quantum Physics · Physics 2023-05-12 Maomin Qing , Wei Xie

This work studies the variational quantum eigensolver algorithm, designed to determine the ground state of a quantum mechanical system by combining classical and quantum hardware. Methods of reducing the number of required qubit…

Quantum Physics · Physics 2022-03-01 R. J. P. T. de Keijzer , V. E. Colussi , B. Škorić , S. J. J. M. F. Kokkelmans

Accurate determination of ground-state energies for molecules remains a challenge in quantum chemistry and a cornerstone for progress in fields such as drug discovery and materials design. The Variational Quantum Eigensolver (VQE)…