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Related papers: Beyond VQE and QPE: A Noise- and Sampling-Error-To…

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By exploiting the invariance of the molecular Hamiltonian by a unitary transformation of the orbitals it is possible to significantly shorter the depth of the variational circuit in the Variational Quantum Eigensolver (VQE) algorithm by…

Quantum Physics · Physics 2025-09-03 Leonardo Ratini , Chiara Capecci , Leonardo Guidoni

Quantum Phase Estimation (QPE) stands as a pivotal quantum computing subroutine that necessitates an inverse Quantum Fourier Transform (QFT). However, it is imperative to recognize that enhancing the precision of the estimation inevitably…

Quantum Physics · Physics 2023-11-09 Chen-Yu Liu , Chu-Hsuan Abraham Lin , Kuan-Cheng Chen

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

As a hybrid quantum-classical algorithm, the variational quantum eigensolver is widely applied in quantum chemistry simulations, especially in computing the electronic structure of complex molecular systems. However, on existing noisy…

Quantum Physics · Physics 2025-01-28 Wanqi Sun , Jungang Xu , Chenghua Duan

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 algorithms on the noisy intermediate-scale quantum (NISQ) devices are expected to simulate quantum systems that are classically intractable to demonstrate quantum advantages. However, the non-negligible gate error on the NISQ…

Quantum Physics · Physics 2021-12-06 Joseph C. Aulicino , Trevor Keen , Bo Peng

The rapid progress in quantum computing has opened up new possibilities for tackling complex scientific problems. Variational quantum eigensolver (VQE) holds the potential to solve quantum chemistry problems and achieve quantum advantages.…

Quantum Physics · Physics 2024-03-08 Linghua Zhu , Senwei Liang , Chao Yang , Xiaosong Li

Quantum optimization algorithms offer a promising route to finding the ground states of target Hamiltonians on near-term quantum devices. None the less, it remains necessary to limit the evolution time and circuit depth as much as possible,…

Quantum Physics · Physics 2022-11-01 Chenfeng Cao , Yunlong Yu , Zipeng Wu , Nic Shannon , Bei Zeng , Robert Joynt

The variational quantum eigensolver (VQE) is one of the most prominent algorithms using near-term quantum devices, designed to find the ground state of a Hamiltonian. In VQE, a classical optimizer iteratively updates the parameters in the…

Quantum Physics · Physics 2026-02-12 Chenyu Shi , Vedran Dunjko , Hao Wang

The quantum phase estimation (QPE) is one of the fundamental algorithms based on the quantum Fourier transform. It has applications in order-finding, factoring, and finding the eigenvalues of unitary operators. The major challenge in…

Quantum Physics · Physics 2023-12-05 Muhammad Faizan , Muhammad Faryad

Higher-dimensional quantum systems (qudits) offer advantages in information encoding, error resilience, and compact gate implementations, and naturally arise in platforms such as superconducting and solid-state systems. However, realistic…

Quantum Physics · Physics 2025-06-17 Yule Mayevsky , Akram Youssry , Ritik Sareen , Gerardo A. Paz-Silva , Alberto Peruzzo

Numerous methodologies have been proposed to implement imaginary time evolution (ITE) on quantum computers. Among these, variational ITE (VITE) methods for noisy intermediate-scale quantum (NISQ) computers have attracted much attention,…

Quantum Physics · Physics 2025-11-26 Hiroki Kuji , Tetsuro Nikuni , Yuta Shingu

Accurate determination of ground-state energies for molecules remains a challenge in quantum chemistry and a cornerstone for progress in fields such as drug discovery and materials design. The Variational Quantum Eigensolver (VQE)…

Quantum systems have historically been formidable to simulate using classical computational methods, particularly as the system size grows. In recent years, advancements in quantum computing technology have offered new opportunities for…

Quantum Physics · Physics 2023-09-06 Jinao Wang , Rimika Jaiswal

In order to answer the problem of Quantum Phase Estimation Algorithm been not suitable for NISQ devices, and allows one to outperform classical computers, Variational Quantum Algorithms (VQAs) were designed. Our subject of interest is the…

Quantum Physics · Physics 2022-10-28 Max Alteg , Baptiste Chevalier , Octave Mestoudjian , Johan-Luca Rossi

Quantum Chemistry (QC) is one of the most promising applications of Quantum Computing. However, present quantum processing units (QPUs) are still subject to large errors. Therefore, noisy intermediate-scale quantum (NISQ) hardware is…

Quantum Physics · Physics 2025-10-21 Mohammad Haidar , Marko J. Rančić , Thomas Ayral , Yvon Maday , Jean-Philip Piquemal

Anharmonic potential quantum system play crucial role in physics as they provide a more realistic description of oscillatory phenomena, which often deviate from the idealized harmonic model. However, simulating such system on classical…

Quantum Physics · Physics 2025-10-08 Saurav Suman , Bikash K. Behera , Vivek Vyas , Prasanta k. Panigrahi

The Variational Quantum Eigensolver (VQE) is a promising algorithm for future Noisy Intermediate-Scale Quantum (NISQ) devices to simulate chemical systems. In this paper, we consider the classical simulation of the iterative Qubit Coupled…

Quantum Physics · Physics 2025-02-27 Damian S. Steiger , Thomas Häner , Scott N. Genin , Helmut G. Katzgraber

Quantum computers provide new avenues to access ground and excited state properties of systems otherwise difficult to simulate on classical hardware. New approaches using subspaces generated by real-time evolution have shown efficiency in…

The rapid expansion of biomolecular datasets presents significant challenges for computational biology. Quantum computing emerges as a promising solution to address these complexities. This study introduces a novel quantum framework for…

Chemical Physics · Physics 2025-07-02 Don Roosan , Rubayat Khan , Saif Nirzhor , Tiffany Khou , Fahmida Hai
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