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Estimating the ground-state energy of Hamiltonians is a fundamental task for which it is believed that quantum computers can be helpful. Several approaches have been proposed toward this goal, including algorithms based on quantum phase…

Quantum Physics · Physics 2025-11-26 Dhrumil Patel , Daniel Koch , Saahil Patel , Mark M. Wilde

We develop an energy calculation algorithm leveraging quantum phase difference estimation (QPDE) scheme and a tensor-network-based unitary compression method in the preparation of superposition states and time-evolution gates. Alongside its…

While quantum algorithms for simulation exhibit better asymptotic scaling than their classical counterparts, they currently cannot be implemented on real-world devices. Instead, chemists and computer scientists rely on costly classical…

Quantum Physics · Physics 2022-06-03 Christopher Kang , Nicholas P. Bauman , Sriram Krishnamoorthy , Karol Kowalski

Iterative phase estimation has long been used in quantum computing to estimate Hamiltonian eigenvalues. This is done by applying many repetitions of the same fundamental simulation circuit to an initial state, and using statistical…

Quantum Physics · Physics 2019-07-25 Ian D. Kivlichan , Christopher E. Granade , Nathan Wiebe

How much energy does a quantum computer consume? Are they more efficient than their classical counterparts? In this work, we make a step towards answering these questions. We define the energy efficiency of a quantum computer as the ratio…

The problem of finding the ground state energy of a Hamiltonian using a quantum computer is currently solved using either the quantum phase estimation (QPE) or variational quantum eigensolver (VQE) algorithms. For precision $\epsilon$, QPE…

Quantum Physics · Physics 2019-04-16 Daochen Wang , Oscar Higgott , Stephen Brierley

Quantum-classical hybrid algorithms are emerging as promising candidates for near-term practical applications of quantum information processors in a wide variety of fields ranging from chemistry to physics and materials science. We report…

Quantum phase estimation is an important routine in many quantum algorithms, particularly for estimating the ground state energy in quantum chemistry simulations. This estimation involves applying powers of a unitary to the ground state,…

Quantum Physics · Physics 2026-01-26 Kaur Kristjuhan , Dominic W. Berry

The phase estimation algorithm is so named because it allows the estimation of the eigenvalues associated with an operator. However it has been proposed that the algorithm can also be used to generate eigenstates. Here we extend this…

Quantum Physics · Physics 2009-11-06 B. C. Travaglione , G. J. Milburn

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

Key properties of physical systems can be described by the eigenvalues of matrices that represent the system. Computational algorithms that determine the eigenvalues of these matrices exist, but they generally suffer from a loss of…

Quantum Physics · Physics 2023-10-31 T. Powers , R. M. Rajapakse

Quantum chemistry calculations such as the prediction of molecular properties and modeling of chemical reactions are a few of the critical areas where near-term quantum computers can showcase quantum advantage. We present a method to…

Quantum Physics · Physics 2022-04-06 Utkarsh Azad , Harjinder Singh

The calculation of excited state energies of electronic structure Hamiltonians has many important applications, such as the calculation of optical spectra and reaction rates. While low-depth quantum algorithms, such as the variational…

Quantum Physics · Physics 2019-07-03 Oscar Higgott , Daochen Wang , Stephen Brierley

Quantum chemistry is envisioned as an early and disruptive application for quantum computers. Yet, closer scrutiny of the proposed algorithms shows that there are considerable difficulties along the way. Here, we propose two criteria for…

Quantum Physics · Physics 2026-04-09 Thibaud Louvet , Thomas Ayral , Xavier Waintal

Large-scale eigenvalue problems pose a significant challenge to classical computers. While there are efficient quantum algorithms for unitary or Hermitian matrices, eigenvalue problems for non-normal matrices remain open in quantum…

Quantum Physics · Physics 2026-03-25 Honghong Lin , Yun Shang

Quantum algorithms are able to solve particular problems exponentially faster than conventional algorithms, when implemented on a quantum computer. However, all demonstrations to date have required already knowing the answer to construct…

Quantum Physics · Physics 2013-03-22 Xiao-Qi Zhou , Pruet Kalasuwan , Timothy C. Ralph , Jeremy L. O'Brien

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

Protein characterization is one of the key components for understanding the human body and advancing drug discovery processes. While the future of quantum hardware holds the potential to accurately characterize these molecules, current…

Quantum Physics · Physics 2025-05-05 Laia Coronas Sala , Parfait Atchade-Adelemou

Quantum chemistry calculations are important applications of quantum annealing. For practical applications in quantum chemistry, it is essential to estimate a ground state energy of the Hamiltonian with chemical accuracy. However, there are…

Quantum Physics · Physics 2021-02-11 Takashi Imoto , Yuya Seki , Yuichiro Matsuzaki , Shiro Kawabata

We study design challenges associated with realizing a ground state quantum computer. In such a computer, the energy gap between the ground state and first excited state must be sufficiently large to prevent disruptive excitations. Here, an…

Quantum Physics · Physics 2007-05-23 Ari Mizel , M. W. Mitchell , Marvin L. Cohen