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Obtaining the expectation value of an observable on a quantum computer is a crucial step in the variational quantum algorithms. For complicated observables such as molecular electronic Hamiltonians, a common strategy is to present the…

Quantum Physics · Physics 2022-04-20 Tzu-Ching Yen , Aadithya Ganeshram , Artur F. Izmaylov

Measuring the expectation value of Pauli operators on prepared quantum states is a fundamental task in a multitude of quantum algorithms. Simultaneously measuring sets of operators allows for fewer measurements and an overall speedup of the…

Quantum Physics · Physics 2019-07-19 Andrew Jena , Scott Genin , Michele Mosca

A variety of quantum algorithms employ Pauli operators as a convenient basis for studying the spectrum or evolution of Hamiltonians or measuring multi-body observables. One strategy to reduce circuit depth in such algorithms involves…

Quantum Physics · Physics 2023-12-21 Edison M. Murairi , Michael J. Cervia

The cost of measuring quantum expectation values of an operator can be reduced by grouping the Pauli string ($SU(2)$ tensor product) decomposition of the operator into maximally commuting sets. We detail an algorithm, presented in [1], to…

High Energy Physics - Lattice · Physics 2023-11-16 Nouman Butt , Andrew Lytle , Ben Reggio , Patrick Draper

The recently introduced coupled cluster (CC) downfolding techniques for reducing the dimensionality of quantum many-body problems recast the CC formalism in the form of the renormalization procedure allowing, for the construction of…

Quantum Physics · Physics 2021-11-08 Nicholas P. Bauman , Karol Kowalski

Variational algorithms are a promising paradigm for utilizing near-term quantum devices for modeling electronic states of molecular systems. However, previous bounds on the measurement time required have suggested that the application of…

Many applications of practical interest rely on time evolution of Hamiltonians that are given by a sum of Pauli operators. Quantum circuits for exact time evolution of single Pauli operators are well known, and can be extended trivially to…

Quantum Physics · Physics 2020-09-16 Ewout van den Berg , Kristan Temme

The Variational Quantum Eigensolver approach to the electronic structure problem on a quantum computer involves measurement of the Hamiltonian expectation value. Formally, quantum mechanics allows one to measure all mutually commuting or…

Quantum Physics · Physics 2020-03-17 Tzu-Ching Yen , Vladyslav Verteletskyi , Artur F. Izmaylov

A potential approach for demonstrating quantum advantage is using quantum computers to simulate fermionic systems. Quantum algorithms for fermionic system simulation usually involve the Hamiltonian evolution and measurements. However, in…

Quantum Physics · Physics 2025-05-14 Qing-Song Li , Jiaxuan Zhang , Huan-Yu Liu , Qingchun Wang , Yu-Chun Wu , Guo-Ping Guo

We introduce a notion of commutativity between operators on a tensor product space, nominally Pauli strings on qubits, that interpolates between qubit-wise commutativity and (full) commutativity. We apply this notion, which we call…

Quantum Physics · Physics 2025-09-23 Ben DalFavero , Rahul Sarkar , Jeremiah Rowland , Daan Camps , Nicolas Sawaya , Ryan LaRose

The classical simulation of quantum circuits is of central importance for benchmarking near-term quantum devices. The fact that gates belonging to the Clifford group can be simulated efficiently on classical computers has motivated a range…

Quantum Physics · Physics 2023-07-12 Tomislav Begušić , Kasra Hejazi , Garnet Kin-Lic Chan

Simulating dynamics of physical systems is a key application of quantum computing, with potential impact in fields such as condensed matter physics and quantum chemistry. However, current quantum algorithms for Hamiltonian simulation yield…

Current quantum computing hardware is restricted by the availability of only few, noisy qubits which limits the investigation of larger, more complex molecules in quantum chemistry calculations on quantum computers in the near-term. In this…

Simulating quantum circuits classically is an important area of research in quantum information, with applications in computational complexity and validation of quantum devices. One of the state-of-the-art simulators, that of Bravyi et al,…

Quantum Physics · Physics 2019-08-07 Hammam Qassim , Joel J. Wallman , Joseph Emerson

We provide an explicit recursive divide and conquer approach for simulating quantum dynamics and derive a discrete first quantized non-relativistic QED Hamiltonian based on the many-particle Pauli Fierz Hamiltonian. We apply this recursive…

Quantum Physics · Physics 2024-03-19 Priyanka Mukhopadhyay , Torin F. Stetina , Nathan Wiebe

Efficiently calculating the low-lying eigenvalues of Hamiltonians, written as sums of Pauli operators, is a fundamental challenge in quantum computing. While various methods have been proposed to reduce the complexity of quantum circuits…

Quantum Physics · Physics 2025-08-08 Abhinav Anand , Kenneth R. Brown

A central building block of many quantum algorithms is the diagonalization of Pauli operators. Although it is always possible to construct a quantum circuit that simultaneously diagonalizes a given set of commuting Pauli operators, only…

Hamiltonian simulation is a key quantum algorithm for modeling complex systems. To implement a Hamiltonian simulation, it is typically decomposed into a list of Pauli strings, each corresponds to an RZ rotation gate with many Clifford…

Quantum Physics · Physics 2025-10-16 Yingheng Li , Xulong Tang , Paul Hovland , Ji Liu

Variational quantum algorithms are promising applications of noisy intermediate-scale quantum (NISQ) computers. These algorithms consist of a number of separate prepare-and-measure experiments that estimate terms in a Hamiltonian. The…

Quantum Physics · Physics 2020-06-25 Andrew Zhao , Andrew Tranter , William M. Kirby , Shu Fay Ung , Akimasa Miyake , Peter Love

Within the realm of early fault-tolerant quantum computing (EFTQC), quantum Krylov subspace diagonalization (QKSD) has emerged as a promising quantum algorithm for the approximate Hamiltonian diagonalization via projection onto the quantum…

Quantum Physics · Physics 2025-04-11 Gwonhak Lee , Seonghoon Choi , Joonsuk Huh , Artur F. Izmaylov
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