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We present quantum algorithms, for Hamiltonians of linear combinations of local unitary operators, for Hamiltonian matrix-vector products and for preconditioning with the inverse of shifted reduced Hamiltonian operator that contributes to…

Quantum Physics · Physics 2020-09-09 Zhiyong Zhang

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

Measuring expectation values of observables is an essential ingredient in variational quantum algorithms. A practical obstacle is the necessity of a large number of measurements for statistical convergence to meet requirements of precision,…

Quantum Physics · Physics 2022-09-07 Masaya Kohda , Ryosuke Imai , Keita Kanno , Kosuke Mitarai , Wataru Mizukami , Yuya O. Nakagawa

The variational quantum eigensolver (VQE) is one of the most promising quantum algorithms for the near-term noisy intermediate-scale quantum (NISQ) devices. The VQE typically involves finding the minimum energy of a quantum Hamiltonian…

Quantum Physics · Physics 2024-02-16 Qidong Xu , Kanav Setia

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…

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

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

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

As a hybrid quantum-classical algorithm, the variational quantum eigensolver is widely applied in quantum chemistry simulations, especially in computing the electronic structure of complex molecular systems. However, on existing noisy…

Quantum Physics · Physics 2025-01-28 Wanqi Sun , Jungang Xu , Chenghua Duan

Variational quantum eigensolvers (VQEs) combine classical optimization with efficient cost function evaluations on quantum computers. We propose a new approach to VQEs using the principles of measurement-based quantum computation. This…

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…

Measuring the expectation value of Pauli operators on prepared quantum states is a fundamental task in a multitude of quantum algorithms. Simultaneously measuring sets of operators allows for fewer measurements and an overall speedup of the…

Quantum Physics · Physics 2019-07-19 Andrew Jena , Scott Genin , Michele Mosca

In the current noisy intermediate scale quantum era of quantum computation, available hardware is severely limited by both qubit count and noise levels, precluding the application of many current hybrid quantum-classical algorithms to…

Quantum Physics · Physics 2024-03-05 Maria-Andreea Filip

Quantum computers can be used to address molecular structure, materials science and condensed matter physics problems, which currently stretch the limits of existing high-performance computing resources. Finding exact numerical solutions to…

Variational quantum algorithms are considered one of the most promising methods for obtaining near-term quantum advantages; however, most of these algorithms are only expressed in the conventional quantum circuit scheme. The roadblock to…

Quantum Physics · Physics 2024-07-30 Zheng Qin , Xiufan Li , Yang Zhou , Shikun Zhang , Rui Li , Chunxiao Du , Zhisong Xiao

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

Experimental characterizations of a quantum system involve the measurement of expectation values of observables for a preparable state |psi> of the quantum system. Such expectation values can be measured by repeatedly preparing |psi> and…

Quantum Physics · Physics 2009-11-13 Emanuel Knill , Gerardo Ortiz , Rolando D. Somma

Estimation of physical observables for unknown quantum states is an important problem that underlies a wide range of fields, including quantum information processing, quantum physics, and quantum chemistry. In the context of quantum…

Quantum Physics · Physics 2024-05-21 Yuma Nakamura , Yoshichika Yano , Nobuyuki Yoshioka

Quantum state tomography is an integral part of quantum computation and offers the starting point for the validation of various quantum devices. One of the central tasks in the field of state tomography is to reconstruct with high fidelity,…

Quantum Physics · Physics 2022-12-21 Rishabh Gupta , Manas Sajjan , Raphael D. Levine , Sabre Kais

Variational quantum algorithms are of special importance in the research on quantum computing applications because of their applicability to current Noisy Intermediate-Scale Quantum (NISQ) devices. The main building blocks of these…