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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

Estimating observable expectation values in eigenstates of quantum systems has a broad range of applications and is an area where early fault-tolerant quantum computers may provide practical quantum advantage. We develop a hybrid…

Quantum Physics · Physics 2026-03-03 Bence Bakó , Tenzan Araki , Bálint Koczor

This paper is concerned with the phase estimation algorithm in quantum computing algorithms, especially the scenarios where (1) the input vector is not an eigenvector; (2) the unitary operator is not exactly implemented; (3) random…

Quantum Physics · Physics 2022-08-10 Xiantao Li

Motivated by far-reaching applications ranging from quantum simulations of complex processes in physics and chemistry to quantum information processing, a broad effort is currently underway to build large-scale programmable quantum systems.…

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

An algorithm based on quantum phase estimation, which discriminates quantum states nondestructively within a set of arbitrary orthogonal states, is described and experimentally verified by a NMR quantum information processor. The procedure…

Quantum Physics · Physics 2016-11-30 V S Manu , Anil Kumar

Estimating correctly the quantum phase of a physical system is a central problem in quantum parameter estimation theory due to its wide range of applications from quantum metrology to cryptography. Ideally, the optimal quantum estimator is…

Quantum Physics · Physics 2021-06-09 Marco A. Rodríguez-García , Isaac Pérez Castillo , P. Barberis-Blostein

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

Methods of processing quantum data become more important as quantum computing devices improve their quality towards fault tolerant universal quantum computers. These methods include discrimination and filtering of quantum states given as an…

Quantum Physics · Physics 2020-02-18 D. V. Babukhin , A. A. Zhukov , W. V. Pogosov

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

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

We describe a quantum algorithm for preparing states that encode solutions of non-homogeneous linear partial differential equations. The algorithm is a continuous-variable version of matrix inversion: it efficiently inverts differential…

Quantum Physics · Physics 2019-09-11 Juan Miguel Arrazola , Timjan Kalajdzievski , Christian Weedbrook , Seth Lloyd

Quantum-phase-estimation algorithms are critical subroutines in many applications for quantum computers and in quantum-metrology protocols. These algorithms estimate the unknown strength of a unitary evolution. By using coherence or…

Quantum Physics · Physics 2023-03-06 Joseph G. Smith , Crispin H. W. Barnes , David R. M. Arvidsson-Shukur

Quantum phase estimation is a fundamental subroutine in many quantum algorithms, including Shor's factorization algorithm and quantum simulation. However, so far results have cast doubt on its practicability for near-term, non-fault…

Realisation of experiments even on small and medium-scale quantum computers requires an optimisation of several parameters to achieve high-fidelity operations. As the size of the quantum register increases, the characterisation of quantum…

Quantum Physics · Physics 2020-08-11 F. Martínez-García , D. Vodola , M. Müller

Quantum algorithms for estimating the eigenvalues of matrices, including the phase estimation algorithm, serve as core subroutines in a wide range of quantum algorithms, including those in quantum chemistry and quantum machine learning. The…

Quantum Physics · Physics 2025-09-03 Abhijeet Alase , Salini Karuvade

Electronic excited states are central to a vast array of physical and chemical phenomena, yet accurate and efficient methods for preparing them on quantum devices remain challenging and comparatively underexplored. We introduce a general…

Quantum Physics · Physics 2026-02-02 Hao-En Li , Lin Lin

Classical computation of electronic properties in large-scale materials remains challenging. Quantum computation has the potential to offer advantages in memory footprint and computational scaling. However, general and practical quantum…

Computational Physics · Physics 2025-10-14 Yiran Bai , Feng Xiong , Xueheng Kuang

We introduce a classical estimator for the post-processing of quantum phase estimation data generated either by quantum-Fourier-transform-based or quantum-signal-processing-based methods. We focus on the estimation of a single target phase…

Quantum Physics · Physics 2026-03-24 Alicja Dutkiewicz , Thomas E. O'Brien , Stefano Polla

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