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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

Non-covalent interactions are a key ingredient to determine the structure, stability, and dynamics of materials, molecules, and biological complexes. However, accurately capturing these interactions is a complex quantum many-body problem,…

Quantum Physics · Physics 2023-10-27 Matthieu Sarkis , Alessio Fallani , Alexandre Tkatchenko

We develop an extension of the variational quantum eigensolver (VQE) algorithm - multistate, contracted VQE (MC-VQE) - that allows for the efficient computation of the transition energies between the ground state and several low-lying…

Quantum Physics · Physics 2019-06-19 Robert M. Parrish , Edward G. Hohenstein , Peter L. McMahon , Todd J. Martinez

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

Quantum computers hold promise to enable efficient simulations of the properties of molecules and materials; however, at present they only permit ab initio calculations of a few atoms, due to a limited number of qubits. In order to harness…

Materials Science · Physics 2020-07-07 He Ma , Marco Govoni , Giulia Galli

We propose a qubit efficient scheme to study ground state properties of quantum many-body systems on near-term noisy intermediate scale quantum computers. One can obtain a tensor network representation of the ground state using a number of…

Quantum Physics · Physics 2019-10-02 Jin-Guo Liu , Yi-Hong Zhang , Yuan Wan , Lei Wang

Quantum computing has shown great potential in various quantum chemical applications such as drug discovery, material design, and catalyst optimization. Although significant progress has been made in quantum simulation of simple molecules,…

Quantum Physics · Physics 2023-05-30 Changsu Cao , Jinzhao Sun , Xiao Yuan , Han-Shi Hu , Hung Q. Pham , Dingshun Lv

Quantum computing promises to revolutionize several scientific and technological domains through fundamentally new ways of processing information. Among its most compelling applications is digital quantum simulation, where quantum computers…

Quantum Physics · Physics 2026-02-05 Laurin E. Fischer

We present a novel quantum algorithm for approximating the ground-state in quantum many-body systems, particularly suited for Noisy Intermediate-Scale Quantum (NISQ) devices. Our approach integrates Variational Quantum Eigensolvers (VQE)…

Quantum Physics · Physics 2024-03-18 Yihao Liu , Min-Quan He , Z. D. Wang

We introduce the Cyclic Variational Quantum Eigensolver (CVQE), a hardware-efficient framework for accurate ground-state quantum simulation on noisy intermediate-scale quantum (NISQ) devices. CVQE departs from conventional VQE by…

Quantum Physics · Physics 2025-09-17 Hao Zhang , Ayush Asthana

Entanglement lies at the core of quantum algorithms designed to solve problems that are intractable by classical approaches. One such algorithm, quantum annealing (QA), provides a promising path to a practical quantum processor. We have…

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…

Neural quantum states (NQS) have gained prominence in variational quantum Monte Carlo methods in approximating ground-state wavefunctions. Despite their success, they face limitations in optimization, scalability, and expressivity in…

Quantum Physics · Physics 2025-01-22 Zongkang Zhang , Ying Li , Xiaosi Xu

We report on two major hybrid applications of quantum computing, namely, the quantum approximate optimisation algorithm (QAOA) and the variational quantum eigensolver (VQE). Both are hybrid quantum classical algorithms as they require…

Computer simulations of many-body quantum dynamics of indistinguishable particles is a challenging task for computational physics. In this paper we demonstrate that the method of coupled coherent states (CCS) developed previously for…

Quantum Physics · Physics 2019-07-17 James A. Green , Dmitrii V. Shalashilin

Recent research has shown that wavefunction evolution in real- and imaginary-time can generate quantum subspaces with significant utility for obtaining accurate ground state energies. Inspired by these methods, we propose combining quantum…

Quantum computers are an ideal platform to study the ground state properties of strongly correlated systems due to the limitation of classical computing techniques particularly for systems exhibiting quantum phase transitions. While the…

Quantum Physics · Physics 2025-07-18 Ammar Kirmani , Elijah Pelofske , Andreas Bärtschi , Stephan Eidenbenz , Jian-Xin Zhu

Approximation based on perturbation theory is the foundation for most of the quantitative predictions of quantum mechanics, whether in quantum many-body physics, chemistry, quantum field theory or other domains. Quantum computing provides…

Quantum Physics · Physics 2022-09-29 Jinzhao Sun , Suguru Endo , Huiping Lin , Patrick Hayden , Vlatko Vedral , Xiao Yuan

Quantum computers promise to revolutionise electronic simulations by overcoming the exponential scaling of many-electron problems. While electronic wave functions can be represented using a product of fermionic unitary operators, shallow…

Quantum Physics · Physics 2022-07-04 Hugh G. A. Burton , Daniel Marti-Dafcik , David P. Tew , David J. Wales

The social worker scheduling problem is a class of combinatorial optimization problems that combines scheduling with routing issues. These types of problems with classical computing can only be solved, in the best of cases, in an…