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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

Finding the ground-state energy of molecules is an important and challenging computational problem for which quantum computing can potentially find efficient solutions. The variational quantum eigensolver (VQE) is a quantum algorithm that…

Quantum Physics · Physics 2023-02-15 Daniel Yoffe , Amir Natan , Adi Makmal

The iterative qubit coupled cluster (iQCC) method is a systematic variational approach to solve the electronic structure problem on universal quantum computers. It is able to use arbitrarily shallow quantum circuits at expense of iterative…

Quantum Physics · Physics 2020-09-30 Ilya G. Ryabinkin , Artur F. Izmaylov , Scott N. Genin

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…

We make the case that variational algorithm ansatzes for near-term quantum computing are well-suited for the quantum circuit cutting strategy. Previous demonstrations of circuit cutting focused on the exponential execution and…

Quantum Physics · Physics 2024-12-25 Zirui Li , Minghao Guo , Mayank Barad , Wei Tang , Eddy Z. Zhang , Yipeng Huang

Most work in quantum circuit optimization has been performed in isolation from the results of quantum fault-tolerance. Here we present a polynomial-time algorithm for optimizing quantum circuits that takes the actual implementation of…

Quantum Physics · Physics 2014-11-18 Matthew Amy , Dmitri Maslov , Michele Mosca

A quantum compiling algorithm is an algorithm for decomposing ("compiling") an arbitrary unitary matrix into a sequence of elementary operations (SEO). Suppose $U_{in}$ is an $\nb$-bit unstructured unitary matrix (a unitary matrix with no…

Quantum Physics · Physics 2007-05-23 Robert R. Tucci

We propose a divide-and-conquer method for the quantum-classical hybrid algorithm to solve larger problems with small-scale quantum computers. Specifically, we concatenate a variational quantum eigensolver (VQE) with a reduction in the…

Quantum Physics · Physics 2022-01-26 Keisuke Fujii , Kaoru Mizuta , Hiroshi Ueda , Kosuke Mitarai , Wataru Mizukami , Yuya O. Nakagawa

Combinatorial optimization on near-term quantum devices is a promising path to demonstrating quantum advantage. However, the capabilities of these devices are constrained by high noise or error rates. In this paper, we propose an iterative…

Quantum Physics · Physics 2022-05-12 Xiaoyuan Liu , Anthony Angone , Ruslan Shaydulin , Ilya Safro , Yuri Alexeev , Lukasz Cincio

There is no unique way to encode a quantum algorithm into a quantum circuit. With limited qubit counts, connectivities, and coherence times, circuit optimization is essential to make the best use of near-term quantum devices. We introduce…

One of the challenges in quantum computing is the synthesis of unitary operators into quantum circuits with polylogarithmic gate complexity. Exact synthesis of generic unitaries requires an exponential number of gates in general. We propose…

Quantum Physics · Physics 2020-11-24 Daan Camps , Roel Van Beeumen

The variational quantum eigensolver (VQE) is an attracting possible application of near-term quantum computers. Originally, the aim of the VQE is to find a ground state for a given specific Hamiltonian. It is achieved by minimizing the…

Quantum Physics · Physics 2019-04-30 Kosuke Mitarai , Tennin Yan , Keisuke Fujii

We formulate and implement the Variational Quantum Eigensolver Self Consistent Field (VQE-SCF) algorithm in combination with polarizable embedding (PE), thereby extending PE to the regime of quantum computing. We test the resulting…

The optimization of circuit parameters of variational quantum algorithms such as the variational quantum eigensolver (VQE) or the quantum approximate optimization algorithm (QAOA) is a key challenge for the practical deployment of near-term…

Quantum Physics · Physics 2019-04-09 Robert M. Parrish , Joseph T. Iosue , Asier Ozaeta , Peter L. McMahon

In this work we present a method of decomposition of arbitrary unitary matrix $U\in\mathbf U(2^k)$ into a product of single-qubit negator and controlled-$\sqrt{\mbox{NOT}}$ gates. Since the product results with negator matrix, which can be…

Quantum Physics · Physics 2016-10-27 Adam Glos , Przemysław Sadowski

Variational quantum circuits (VQCs) are an essential tool in applying noisy intermediate-scale quantum computers to practical problems. VQCs are used as a central component in many algorithms, for example, in quantum machine learning,…

Quantum Physics · Physics 2025-12-18 Joona V. Pankkonen , Lauri Ylinen , Matti Raasakka , Ilkka Tittonen

In some physical implementations of quantum computers, 2-qubit operations can be applied only on certain pairs of qubits. Compilation of a quantum circuit into one compliant to such qubit connectivity constraint results in an increase of…

Quantum Physics · Physics 2025-06-04 Pei Yuan , Shengyu Zhang

Variational quantum eigensolver (VQE) is a hybrid quantum-classical algorithm designed for noisy intermediate-scale quantum (NISQ) computers. It is promising for quantum chemical calculations (QCC) because it can calculate the ground-state…

The development of quantum algorithms and their application to quantum chemistry has introduced new opportunities for solving complex molecular problems that are computationally infeasible for classical methods. In quantum chemistry, the…

Quantum Physics · Physics 2025-08-18 Fabio Tarocco , Davide Materia , Leonardo Ratini , Leonardo Guidoni

The contextual subspace variational quantum eigensolver (CS-VQE) is a hybrid quantum-classical algorithm that approximates the ground-state energy of a given qubit Hamiltonian. It achieves this by separating the Hamiltonian into contextual…

Quantum Physics · Physics 2023-02-14 Alexis Ralli , Tim Weaving , Andrew Tranter , William M. Kirby , Peter J. Love , Peter V. Coveney