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We propose a quantum-classical hybrid variational algorithm, the quantum orbital minimization method (qOMM), for obtaining the ground state and low-lying excited states of a Hermitian operator. Given parameterized ansatz circuits…

Chemical Physics · Physics 2022-06-14 Joel Bierman , Yingzhou Li , Jianfeng Lu

This thesis investigates quantum algorithms for eigenstate preparation, with a focus on solving eigenvalue problems such as the Schrodinger equation by utilizing near-term quantum computing devices. These problems are ubiquitous in several…

Quantum Physics · Physics 2024-12-20 Joey Bonitati

Finding the ground state of a Hamiltonian system is of great significance in many-body quantum physics and quantum chemistry. We propose an improved iterative quantum algorithm to prepare the ground state of a Hamiltonian. The crucial point…

Quantum Physics · Physics 2022-10-25 Jin-Min Liang , Qiao-Qiao Lv , Shu-Qian Shen , Ming Li , Zhi-Xi Wang , Shao-Ming Fei

Quantum computation represents a revolutionary approach for solving problems in quantum chemistry. However, due to the limited quantum resources in the current noisy intermediate-scale quantum (NISQ) devices, quantum algorithms for large…

Quantum Physics · Physics 2023-04-17 Yi Fan , Changsu Cao , Xusheng Xu , Zhenyu Li , Dingshun Lv , Man-Hong Yung

We show that optimal control of the electron dynamics is able to prepare molecular ground states, within chemical accuracy, with evolution times approaching the bounds imposed by quantum mechanics. We propose a specific parameterization of…

Quantum Physics · Physics 2024-02-20 Davide Castaldo , Marta Rosa , Stefano Corni

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 is one of the most promising approaches for performing chemistry simulations using noisy intermediate-scale quantum (NISQ) processors. The efficiency of this algorithm depends crucially on the ability to…

The variational approach is a cornerstone of computational physics, considering both conventional and quantum computing computational platforms. The variational quantum eigensolver (VQE) algorithm aims to prepare the ground state of a…

Quantum Physics · Physics 2022-12-16 Nikita Astrakhantsev , Guglielmo Mazzola , Ivano Tavernelli , Giuseppe Carleo

We present an approach, which we term quantum-enhanced optimization, to accelerate classical optimization algorithms by leveraging quantum sampling. Our method uses quantum-generated samples as warm starts to classical heuristics for…

Quantum Physics · Physics 2025-08-25 Ieva Čepaitė , Niam Vaishnav , Leo Zhou , Ashley Montanaro

Variational-Quantum-Eigensolver (VQE) method has been known as the method of chemical calculation using quantum computers and classical computers. This method also can derive the energy levels of excited states by…

Quantum Physics · Physics 2021-09-07 Hikaru Wakaura , Takao Tomono

Understanding the properties of excited states of complex molecules is crucial for many chemical and physical processes. Calculating these properties is often significantly more resource-intensive than calculating their ground state…

Quantum Physics · Physics 2025-05-08 Manuel Hagelüken , Marco F. Huber , Marco Roth

Quantum algorithms for probing ground-state properties of quantum systems require good initial states. Projection-based methods such as eigenvalue filtering rely on inputs that have a significant overlap with the low-energy subspace, which…

Quantum Physics · Physics 2024-04-10 Danial Motlagh , Modjtaba Shokrian Zini , Juan Miguel Arrazola , Nathan Wiebe

We propose a general-purpose quantum algorithm for preparing ground states of quantum Hamiltonians from a given trial state. The algorithm is based on techniques recently developed in the context of solving the quantum linear systems…

Quantum Physics · Physics 2018-02-05 Yimin Ge , Jordi Tura , J. Ignacio Cirac

The Variational Quantum Eigensolver (VQE) is a hybrid quantum-classical algorithm for preparing ground states in the current era of noisy devices. The classical component of the algorithm requires a large number of measurements on…

Quantum Physics · Physics 2025-03-27 Akib Karim , Shaobo Zhang , Muhammad Usman

Variational quantum algorithms are emerging as promising candidates for near-term practical applications of quantum information processors, in the field of quantum chemistry. We implement the variational quantum eigensolver algorithm to…

Quantum Physics · Physics 2024-07-02 Dileep Singh , Shashank Mehendale , Arvind , Kavita Dorai

The factorized form of the unitary coupled-cluster approximation is one of the most promising methodologies to prepare trial states for strongly correlated systems within the variational quantum eigensolver framework. The factorized form of…

Quantum Physics · Physics 2022-01-05 Luogen Xu , Joseph T. Lee , J. K. Freericks

The quantum equation-of-motion (qEOM) method with singles and doubles has been suggested to study electronically excited states while it fails to predict the excitation energies dominated by double excitations. In this work, we present an…

Quantum Physics · Physics 2024-06-18 Yuhan Zheng , Jie Liu , Zhenyu Li , Jinlong Yang

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

The variational quantum eigensolver (VQE) algorithm, designed to calculate the energy of molecular ground states on near-term quantum computers, requires specification of symmetries that describe the system, e.g. spin state and number of…

Quantum Physics · Physics 2020-06-18 Gabriel Greene-Diniz , David Muñoz Ramo

Finding the ground-state energy of molecules is an important and challenging computational problem for which quantum computing can potentially find efficient solutions. The variational quantum eigensolver (VQE) is a quantum algorithm that…

Quantum Physics · Physics 2023-02-15 Daniel Yoffe , Amir Natan , Adi Makmal