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Quantum phase estimation (QPE) serves as a building block of many different quantum algorithms and finds important applications in computational chemistry problems. Despite the rapid development of quantum hardware, experimental…

Quantum Physics · Physics 2024-03-01 Kentaro Yamamoto , Samuel Duffield , Yuta Kikuchi , David Muñoz Ramo

Quantum simulation of molecular electronic structure is one of the most promising applications of quantum computing. However, achieving chemically accurate predictions for strongly correlated systems requires quantum phase estimation (QPE)…

Quantum Physics · Physics 2026-03-31 Shota Kanasugi , Riki Toshio , Kazunori Maruyama , Hirotaka Oshima

Quantum computers hold promise to circumvent the limitations of conventional computing for difficult molecular problems. However, the accumulation of quantum logic errors on real devices represents a major challenge, particularly in the…

Chemical Physics · Physics 2021-11-17 Michael A. Jones , Harish J. Vallury , Charles D. Hill , Lloyd C. L. Hollenberg

We compare several quantum phase estimation (QPE) protocols intended for early fault-tolerant quantum computers (EFTQCs) in the context of models of their implementations on a surface code architecture. We estimate the logical and physical…

Quantum Physics · Physics 2024-03-04 Jacob S. Nelson , Andrew D. Baczewski

We numerically investigate quantum circuit elementary-gate level instantiations of the standard Quantum Phase Estimation (QPE) algorithm for the task of computing the ground-state energy of a quantum magnet; the disordered fully-connected…

Quantum Physics · Physics 2026-03-02 Elijah Pelofske , Stephan Eidenbenz

Under suitable assumptions, the quantum phase estimation (QPE) algorithm is able to achieve Heisenberg-limited precision scaling in estimating the ground state energy. However, QPE requires a large number of ancilla qubits and large circuit…

Quantum Physics · Physics 2022-02-04 Lin Lin , Yu Tong

Quantum computers are rapidly becoming more capable, with dramatic increases in both qubit count and quality. Among different hardware approaches, trapped-ion quantum processors are a leading technology for quantum computing, with…

A milestone in the field of quantum computing will be solving problems in quantum chemistry and materials faster than state-of-the-art classical methods. The current understanding is that achieving quantum advantage in this area will…

Quantum Physics · Physics 2023-11-08 Guoming Wang , Daniel Stilck França , Ruizhe Zhang , Shuchen Zhu , Peter D. Johnson

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 combined with Hamiltonian simulation is the most promising algorithmic framework to computing ground state energies on quantum computers. Its main computational overhead derives from the Hamiltonian simulation…

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

Over the last century, a large number of physical and mathematical developments paired with rapidly advancing technology have allowed the field of quantum chemistry to advance dramatically. However, the lack of computationally efficient…

Quantum Physics · Physics 2011-03-08 James D. Whitfield , Jacob Biamonte , Alán Aspuru-Guzik

We develop a phase estimation method with a distinct feature: its maximal runtime (which determines the circuit depth) is $\delta/\epsilon$, where $\epsilon$ is the target precision, and the preconstant $\delta$ can be arbitrarily close to…

Quantum Physics · Physics 2024-03-12 Zhiyan Ding , Lin Lin

We compare recently proposed methods to compute the electronic state energies of the water molecule on a quantum computer. The methods include the phase estimation algorithm based on Trotter decomposition, the phase estimation algorithm…

Quantum Physics · Physics 2019-07-24 Teng Bian , Daniel Murphy , Rongxin Xia , Ammar Daskin , Sabre Kais

Quantum computing leverages the quantum resources of superposition and entanglement to efficiently solve computational problems considered intractable for classical computers. Examples include calculating molecular and nuclear structure,…

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 accurate computation of properties of large molecular systems is classically infeasible and is one of the applications in which it is hoped that quantum computers will demonstrate an advantage over classical devices. However, due to the…

Quantum Physics · Physics 2024-10-15 Michael A. Jones , Harish J. Vallury , Lloyd C. L. Hollenberg

Quantum phase estimation is one of the critical building blocks of quantum computing. For early fault-tolerant quantum devices, it is desirable for a quantum phase estimation algorithm to (1) use a minimal number of ancilla qubits, (2)…

Quantum Physics · Physics 2023-11-08 Hongkang Ni , Haoya Li , Lexing Ying

Trotter approximation in conjunction with Quantum Phase Estimation can be used to extract eigen-energies of a many-body Hamiltonian on a quantum computer. There were several ways proposed to assess the quality of this approximation based on…

A major milestone of quantum error correction is to achieve the fault-tolerance threshold beyond which quantum computers can be made arbitrarily accurate. This requires extraordinary resources and engineering efforts. We show that even…

Quantum Physics · Physics 2021-06-16 Miroslav Urbanek , Benjamin Nachman , Wibe A. de Jong
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