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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

Quantum chemistry is among the most promising applications of quantum computing, offering the potential to solve complex electronic structure problems more efficiently than classical approaches. A critical component of any quantum algorithm…

Quantum Physics · Physics 2025-06-02 Smik Patel , Praveen Jayakumar , Tzu-Ching Yen , Artur F. Izmaylov

The variational quantum eigensolver (VQE) remains one of the most popular near-term quantum algorithms for solving the electronic structure problem. Yet, for its practicality, the main challenge to overcome is improving the quantum…

Quantum Physics · Physics 2023-05-11 Seonghoon Choi , Artur F. Izmaylov

Mapping out phase diagrams of quantum systems using classical simulations can be challenging or intractable due to the computational resources required to simulate even small quantum systems far away from the thermodynamic limit. We…

Quantum Physics · Physics 2024-06-05 Jan Lukas Bosse , Raul Santos , Ashley Montanaro

We present a distributed algorithm and implementation of the variational quantum eigensolver (VQE), termed distributed VQE (DVQE). DVQE, provided as an open-source Python package, enables the execution of parameterized quantum circuits…

Quantum Physics · Physics 2025-08-29 Milad Hasanzadeh , Amin Kargarian

In this paper, we propose a novel and powerful method to harness Bayesian optimization for Variational Quantum Eigensolvers (VQEs) -- a hybrid quantum-classical protocol used to approximate the ground state of a quantum Hamiltonian.…

Variational quantum algorithms have shown promise in numerous fields due to their versatility in solving problems of scientific and commercial interest. However, leading algorithms for Hamiltonian simulation, such as the Variational Quantum…

Quantum Physics · Physics 2020-01-27 Arthur G. Rattew , Shaohan Hu , Marco Pistoia , Richard Chen , Steve Wood

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…

We propose an ansatz quantum circuit for the variational quantum eigensolver (VQE), suitable for exploring the phase structure of the multi-flavor Schwinger model in the presence of a chemical potential. Our ansatz is capable of…

High Energy Physics - Lattice · Physics 2024-06-17 Stephan Schuster , Stefan Kühn , Lena Funcke , Tobias Hartung , Marc-Oliver Pleinert , Joachim von Zanthier , Karl Jansen

Even a minor boost in solving combinatorial optimization problems can greatly benefit multiple industries. Quantum computers, with their unique information processing capabilities, hold promise for delivering such enhancements. The…

Quantum Physics · Physics 2025-05-15 Gabriel Marin-Sanchez , David Amaro

In the noisy-intermediate-scale-quantum era, Variational Quantum Eigensolver (VQE) is a promising method to study ground state properties in quantum chemistry, materials science, and condensed physics. However, general quantum eigensolvers…

Quantum Physics · Physics 2023-09-27 Yusen Wu , Zigeng Huang , Jinzhao Sun , Xiao Yuan , Jingbo B. Wang , Dingshun Lv

Near-term quantum computers will be limited in the number of qubits on which they can process information as well as the depth of the circuits that they can coherently carry out. To-date, experimental demonstrations of algorithms such as…

Chemical Physics · Physics 2023-10-18 Joel Bierman , Yingzhou Li , Jianfeng Lu

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…

Quantum Physics · Physics 2019-09-02 Pranav Gokhale , Frederic T. Chong

Variational quantum eigensolver (VQE) is an efficient computational method promising chemical accuracy in electronic structure calculations on a universal-gate quantum computer. However, such a simple task as computing the electronic energy…

Chemical Physics · Physics 2018-06-04 Ilya G. Ryabinkin , Scott N. Genin , Artur F. Izmaylov

The Variational Quantum Eigensolver (VQE) is a hybrid quantum-classical algorithm for quantum simulation that can be run on near-term quantum hardware. A challenge in VQE -- as well as any other heuristic algorithm for finding ground states…

Quantum computers have an exponential speed-up advantage over classical computers. One of the most prominent utilities of quantum computers is their ability to study complex quantum systems in various fields using quantum computational…

Quantum Physics · Physics 2022-01-03 Ritu Dhaulakhandi , Bikash K. Behera

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

Variational Quantum Algorithms (VQAs) are expected to be promising algorithms with quantum advantages that can be run at quantum computers in the close future. In this work, we review simple rules in basic quantum circuits, and propose a…

Quantum Physics · Physics 2023-12-12 Jaehoon Hahm , Hayeon Kim , Young June Park

A family of Variational Quantum Eigensolver (VQE) methods is designed to maximize the resource of existing noisy intermediate-scale quantum (NISQ) devices. However, VQE approaches encounter various difficulties in simulating molecules of…

Chemical Physics · Physics 2022-08-16 M. D. Sapova , A. K. Fedorov

Quantum variational algorithms (QVAs) are increasingly potent tools for simulating quantum many-body systems on noisy intermediate-scale quantum (NISQ) devices. This work examines the application of the Variational Quantum Eigensolver (VQE)…

Nuclear Theory · Physics 2026-01-28 Dhritimalya Roy , Somnath Nag