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Quantum variational optimization has been posed as an alternative to solve optimization problems faster and at a larger scale than what classical methods allow. In this paper we study systematically the role of entanglement, the structure…

Quantum Physics · Physics 2021-12-30 Pablo Díez-Valle , Diego Porras , Juan José García-Ripoll

In this work, we are interested in the detailed analysis of complexity aspects of both time and space that arises from the implementation of a quantum algorithm on a quantum based hardware. In particular, some steps of the implementation,…

Molecular ground-state simulation is one of the most promising fields for demonstrating practical quantum advantage on near-term quantum computers. However, the Variational Quantum Eigensolver (VQE), a leading algorithm for this task, still…

Quantum Physics · Physics 2025-07-08 Runhong He , Qiaozhen Chai , Xin Hong , Ji Guan , Guolong Cui , Shengbin Wang , Shenggang Ying

Classical algorithms for predicting the equilibrium geometry of strongly correlated molecules require expensive wave function methods that become impractical already for few-atom systems. In this work, we introduce a variational quantum…

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…

Quantum Physics · Physics 2024-09-04 Mikio Morita , Yoshinori Tomita , Junpei Koyama , Koichi Kimura

The calculation of excited state energies of electronic structure Hamiltonians has many important applications, such as the calculation of optical spectra and reaction rates. While low-depth quantum algorithms, such as the variational…

Quantum Physics · Physics 2019-07-03 Oscar Higgott , Daochen Wang , Stephen Brierley

Utilizing quantum computer to investigate quantum chemistry is an important research field nowadays. In addition to the ground-state problems that have been widely studied, the determination of excited-states plays a crucial role in the…

We study the performance and resource usage of the variational quantum factoring (VQF) algorithm for different instance sizes and optimization algorithms. Our simulations show better chance of finding the ground state when using VQE rather…

Quantum Physics · Physics 2022-08-16 Vivian Phan , Arttu Pönni , Matti Raasakka , Ilkka Tittonen

In recent years substantial research effort has been devoted to quantum algorithms for ground state energy estimation (GSEE) in chemistry and materials. Given the many heuristic and non-heuristic methods being developed, it is challenging…

Quantum Physics · Physics 2022-12-23 Katerina Gratsea , Chong Sun , Peter D. Johnson

Estimating the ground-state energy of Hamiltonians is a fundamental task for which it is believed that quantum computers can be helpful. Several approaches have been proposed toward this goal, including algorithms based on quantum phase…

Quantum Physics · Physics 2025-11-26 Dhrumil Patel , Daniel Koch , Saahil Patel , Mark M. Wilde

The variational quantum eigensolver (VQE), a type of variational quantum algorithm, is a hybrid quantum-classical algorithm to find the lowest-energy eigenstate of a particular Hamiltonian. We investigate ways to optimize the VQE solving…

Quantum Physics · Physics 2024-10-30 Adam Hutchings , Eric Yarnot , Xinpeng Li , Qiang Guan , Ning Xie , Shuai Xu , Vipin Chaudhary

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 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 computers show potential for achieving computational advantage over classical computers, with many candidate applications in combinatorial optimisation. We present an application level benchmarking framework for near-term quantum…

In this work, we present a quantum algorithm for ground-state energy calculations of periodic solids on error-corrected quantum computers. The algorithm is based on the sparse qubitization approach in second quantization and developed for…

The quantum advantage threshold determines when a quantum processing unit (QPU) is more efficient with respect to classical computing hardware in terms of algorithmic complexity. The "green" quantum advantage threshold $-$ based on a…

Quantum Physics · Physics 2023-01-27 Daniel Jaschke , Simone Montangero

Determining ground state energies of quantum systems by hybrid classical/quantum methods has emerged as a promising candidate application for near-term quantum computational resources. Short of large-scale fault-tolerant quantum computers,…

Quantum Physics · Physics 2016-10-25 Nicholas C. Rubin

Quantum computing promises to speed up some of the most challenging problems in science and engineering. Quantum algorithms have been proposed showing theoretical advantages in applications ranging from chemistry to logistics optimization.…

Quantum Physics · Physics 2021-11-12 Niklas Heim , Atiyo Ghosh , Oleksandr Kyriienko , Vincent E. Elfving

Feynmans ideas to employ quantum systems for simulating other quantum systems gave rise to quantum simulation. While current quantum computers are still prone to decoherence and rely on error correction, the development of hybrid algorithms…

Quantum Physics · Physics 2022-01-13 Alan Anaya , Francisco Delgado

The variational quantum eigensolver (VQE) is a promising algorithm for demonstrating quantum advantage in the noisy intermediate-scale quantum (NISQ) era. However, optimizing VQE from random initial starting parameters is challenging due to…

Quantum Physics · Physics 2023-10-20 Abid Khan , Bryan K. Clark , Norm M. Tubman