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The Hamiltonian of a quantum system is represented in terms of operators corresponding to the kinetic and potential energies of the system. The expectation value of a Hamiltonian and Hamiltonian simulation are two of the most fundamental…

Quantum Physics · Physics 2024-06-14 Benchi Zhao , Keisuke Fujii

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…

To obtain estimates of electronic energies, the Variational Quantum Eigensolver (VQE) technique performs separate measurements for multiple parts of the system Hamiltonian. Current quantum hardware is restricted to projective single-qubit…

Quantum Physics · Physics 2019-10-22 Artur F. Izmaylov , Tzu-Ching Yen , Robert A. Lang , Vladyslav Verteletskyi

Quantum mechanics has introduced a new theoretical framework for the study of molecules, enabling the prediction of properties and dynamics through the solution of the Schr\"odinger equation applied to these systems. However, solving this…

We describe the contextual subspace variational quantum eigensolver (CS-VQE), a hybrid quantum-classical algorithm for approximating the ground state energy of a Hamiltonian. The approximation to the ground state energy is obtained as the…

Quantum Physics · Physics 2021-05-19 William M. Kirby , Andrew Tranter , Peter J. Love

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…

Quantum Physics · Physics 2021-07-28 Qingfeng Wang , Ming Li , Christopher Monroe , Yunseong Nam

Hybrid quantum-classical algorithms have been proposed as a potentially viable application of quantum computers. A particular example - the variational quantum eigensolver, or VQE - is designed to determine a global minimum in an energy…

Quantum Physics · Physics 2020-08-05 Alexey Uvarov , Jacob Biamonte , Dmitry Yudin

We present the meta-VQE, an algorithm capable to learn the ground state energy profile of a parametrized Hamiltonian. By training the meta-VQE with a few data points, it delivers an initial circuit parametrization that can be used to…

Quantum Physics · Physics 2021-06-01 Alba Cervera-Lierta , Jakob S. Kottmann , Alán Aspuru-Guzik

The contextual subspace variational quantum eigensolver (CS-VQE) is a hybrid quantum-classical algorithm that approximates the ground-state energy of a given qubit Hamiltonian. It achieves this by separating the Hamiltonian into contextual…

Quantum Physics · Physics 2023-02-14 Alexis Ralli , Tim Weaving , Andrew Tranter , William M. Kirby , Peter J. Love , Peter V. Coveney

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

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

Variational quantum eigensolver (VQE) optimizes parameterized eigenstates of a Hamiltonian on a quantum processor by updating parameters with a classical computer. Such a hybrid quantum-classical optimization serves as a practical way to…

Quantum Physics · Physics 2020-03-18 Dan-Bo Zhang , Tao Yin

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

The variational quantum eigensolver (VQE) has emerged as one of the leading quantum algorithms for solving electronic structure problems on near-term noisy intermediate-scale quantum devices. However, its practical application to quantum…

Chemical Physics · Physics 2026-03-24 Yanxian Tao , Lingyun Wan , Jie Liu

We propose a modification of the Variational Quantum Eigensolver algorithm for electronic structure optimization using quantum computers, named non-unitary Variational Quantum Eigensolver (nu-VQE), in which a non-unitary operator is…

The variational quantum eigensolver (VQE) and its variants, which is a method for finding eigenstates and eigenenergies of a given Hamiltonian, are appealing applications of near-term quantum computers. Although the eigenenergies are…

Quantum Physics · Physics 2020-02-12 Kosuke Mitarai , Yuya O. Nakagawa , Wataru Mizukami

Quantum chemistry has been identified as one of the most promising areas where quantum computing can have a tremendous impact. For current Noisy Intermediate-Scale Quantum (NISQ) devices, one of the best available methods to prepare…

Quantum Physics · Physics 2024-04-05 Marco Majland , Patrick Ettenhuber , Nikolaj Thomas Zinner

We propose a computational protocol for quantum simulations of Fermionic Hamiltonians on a quantum computer, enabling calculations which were previously not feasible with conventional encoding and ansatses of variational quantum…

Quantum Physics · Physics 2023-03-15 Benchen Huang , Nan Sheng , Marco Govoni , Giulia Galli

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…

Quantum Physics · Physics 2026-02-13 Taylor Harville , Rishu Khurana , Vitor F. Grizzi , Cong Liu