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Variational Quantum Eigensolvers (VQEs) represent a promising approach to computing molecular ground states and energies on modern quantum computers. These approaches use a classical computer to optimize the parameters of a trial wave…

In the lead up to fault tolerance, the utility of quantum computing will be determined by how adequately the effects of noise can be circumvented in quantum algorithms. Hybrid quantum-classical algorithms such as the variational quantum…

Quantum computing is believed to be particularly useful for the simulation of chemistry and materials, among the various applications. In recent years, there have been significant advancements in the development of near-term quantum…

Quantum Physics · Physics 2022-10-12 Guoming Wang , Sukin Sim , Peter D. Johnson

Quantum computers can be used to calculate the electronic structure and estimate the ground state energy of many-electron molecular systems. In the present study, we implement the Variational Quantum Eigensolver (VQE) algorithm, as a hybrid…

Quantum Physics · Physics 2024-11-11 Hamid Reza Naeij , Erfan Mahmoudi , Hossein Davoodi Yeganeh , Mohsen Akbari

The famous, yet unsolved, Fermi-Hubbard model for strongly-correlated electronic systems is a prominent target for quantum computers. However, accurately representing the Fermi-Hubbard ground state for large instances may be beyond the…

To understand the properties and interactions of materials, and determining the ground state energies is one of the important challenges in quantum chemistry, materials science, and quantum mechanics, where quantum computing can play an…

Quantum Physics · Physics 2025-04-15 Badie Ghavami , Forouzan Mirmasoudi

Accurate ground-state calculations on noisy quantum computers are fundamentally limited by restricted ansatz expressivity and unavoidable hardware errors. We introduce a hybrid-quantum classical framework that simultaneously addresses these…

The ground state properties of quantum many-body systems are a subject of interest across chemistry, materials science, and physics. Thus, algorithms for finding ground states can have broad impacts. Variational quantum algorithms are one…

Quantum Physics · Physics 2023-09-28 James B. Larsen , Matthew D. Grace , Andrew D. Baczewski , Alicia B. Magann

Accurately determining ground-state properties of quantum many-body systems remains one of the major challenges of quantum simulation. In this work, we present a protocol for estimating the ground-state energy using only global time…

There is a pressing need to develop new rechargeable battery technologies that can offer higher energy storage, faster charging, and lower costs. Despite the success of existing methods for the simulation of battery materials, they can…

Preparing the ground state of a system is an important task in physics. We propose a quantum algorithm for preparing the ground state of a physical system that can be simulated on a quantum computer. The system is coupled to an ancillary…

Quantum Physics · Physics 2018-05-14 Hefeng Wang

Imaginary time evolution is a powerful tool for studying quantum systems. While it is possible to simulate with a classical computer, the time and memory requirements generally scale exponentially with the system size. Conversely, quantum…

Quantum Physics · Physics 2019-09-17 Sam McArdle , Tyson Jones , Suguru Endo , Ying Li , Simon Benjamin , Xiao Yuan

Determining ground state energies of quantum systems by hybrid classical/quantum methods has emerged as a promising candidate application for near-term quantum computational resources. Short of large-scale fault-tolerant quantum computers,…

Quantum Physics · Physics 2016-10-25 Nicholas C. Rubin

In this work, we present a quantum algorithm for ground-state energy calculations of periodic solids on error-corrected quantum computers. The algorithm is based on the sparse qubitization approach in second quantization and developed for…

Quantum phase transitions materialize as level crossings in the ground-state energy when the parameters of the Hamiltonian are varied. The resulting ground-state phase diagrams are straightforward to determine by exact diagonalization on…

Quantum Physics · Physics 2021-12-10 Akhil Francis , Ephrata Zelleke , Ziyue Zhang , Alexander F. Kemper , J. K. Freericks

Finding the ground state of a quantum many-body system is a fundamental problem in quantum physics. In this work, we give a classical machine learning (ML) algorithm for predicting ground state properties with an inductive bias encoding…

Quantum Physics · Physics 2024-10-18 Laura Lewis , Hsin-Yuan Huang , Viet T. Tran , Sebastian Lehner , Richard Kueng , John Preskill

We investigate the possibility to calculate the ground-state energy of the atomic systems on a quantum computer. For this purpose we evaluate the lowest binding energy of the moscovium atom with the use of the iterative phase estimation and…

Quantum Physics · Physics 2023-09-26 V. A. Zaytsev , M. E. Groshev , I. A. Maltsev , A. V. Durova , V. M. Shabaev

An end-to-end strategy for hybrid quantum-classical computations of Green's functions in many-body systems is presented and applied to the pairing model. The scheme makes explicit use of the spectral representation of the Green's function,…

Nuclear Theory · Physics 2026-05-01 Samuel Aychet-Claisse , Denis Lacroix , Vittorio Somà , Jing Zhang

Variational hybrid quantum-classical algorithms are promising candidates for near-term implementation on quantum computers. In these algorithms, a quantum computer evaluates the cost of a gate sequence (with speedup over classical cost…

Quantum Physics · Physics 2019-06-27 Ryan LaRose , Arkin Tikku , Étude O'Neel-Judy , Lukasz Cincio , Patrick J. Coles

The calculation time for the energy of atoms and molecules scales exponentially with system size on a classical computer but polynomially using quantum algorithms. We demonstrate that such algorithms can be applied to problems of chemical…

Quantum Physics · Physics 2007-05-23 Alán Aspuru-Guzik , Anthony D. Dutoi , Peter J. Love , Martin Head-Gordon