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The procedure for simulating the nuclear magnetic resonance spectrum linked to the spin system of a molecule for a certain nucleus entails diagonalizing the associated Hamiltonian matrix. As the dimensions of said matrix grow exponentially…

Quantum Physics · Physics 2024-10-29 Joaquín Ossorio-Castillo , Alexandre Rodríguez-Coello

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

We study the problem of estimating frequency response functions of systems of coupled, classical harmonic oscillators using a quantum computer. The functional form of these response functions can be mapped to a corresponding eigenproblem of…

Quantum Physics · Physics 2025-11-14 Sven Danz , Mario Berta , Stefan Schröder , Pascal Kienast , Frank K. Wilhelm , Alessandro Ciani

We present a quantum algorithm to estimate parameters at the quantum metrology limit using deterministic quantum computation with one bit. When the interactions occurring in a quantum system are described by a Hamiltonian $H= \theta H_0$,…

Quantum Physics · Physics 2008-07-03 Rolando D. Somma , Sergio Boixo

Estimating the eigenvalues of a unitary transformation U by standard phase estimation requires the implementation of controlled-U-gates which are not available if U is only given as a black box. We show that a simple trick allows to measure…

Quantum Physics · Physics 2007-05-23 Dominik Janzing , Thomas Beth

Quantum computers promise to revolutionize our ability to simulate molecules, and cloud-based hardware is becoming increasingly accessible to a wide body of researchers. Algorithms such as Quantum Phase Estimation and the Variational…

Quantum Physics · Physics 2021-12-21 Kyle Sherbert , Frank Cerasoli , Marco Buongiorno Nardelli

Recent advances in analog and digital quantum-simulation platforms have enabled exploration of the spectrum of entanglement Hamiltonians via variational algorithms. In this work we analyze the convergence properties of the variationally…

Quantum Physics · Physics 2025-05-16 Yanick S. Kind , Benedikt Fauseweh

Estimating spectral gaps of quantum many-body Hamiltonians is a highly challenging computational task, even under assumptions of locality and translation-invariance. Yet, the quest for rigorous gap certificates is motivated by their broad…

Quantum Physics · Physics 2026-04-15 Kshiti Sneh Rai , Ilya Kull , Patrick Emonts , Jordi Tura , Norbert Schuch , Flavio Baccari

Recent technological developments have focused the interest of the quantum computing community on investigating how near-term devices could outperform classical computers for practical applications. A central question that remains open is…

Quantum Physics · Physics 2021-11-24 Daniel Stilck Franca , Raul Garcia-Patron

Quantum machine learning algorithms, the extensions of machine learning to quantum regimes, are believed to be more powerful as they leverage the power of quantum properties. Quantum machine learning methods have been employed to solve…

Computational Physics · Physics 2021-06-01 Shree Hari Sureshbabu , Manas Sajjan , Sangchul Oh , Sabre Kais

Identifying the Hamiltonian of a quantum system from experimental data is considered. General limits on the identifiability of model parameters with limited experimental resources are investigated, and a specific Bayesian estimation…

Quantum Physics · Physics 2019-10-15 S. G. Schirmer , F. C. Langbein

We introduce a simple framework for estimating lower bounds on the runtime of a broad class of adiabatic quantum algorithms. The central formula consists of calculating the variance of the final Hamiltonian with respect to the initial…

Quantum Physics · Physics 2024-02-13 Jyong-Hao Chen

We describe quantum circuits with only $\widetilde{\cal O}(N)$ Toffoli complexity that block encode the spectra of quantum chemistry Hamiltonians in a basis of $N$ arbitrary (e.g., molecular) orbitals. With ${\cal O}(\lambda / \epsilon)$…

The practical application of quantum technologies to chemical problems faces significant challenges, particularly in the treatment of realistic basis sets and the accurate inclusion of electron correlation effects. A direct approach to…

This paper is an algorithmic study of quantum phase estimation with multiple eigenvalues. We present robust multiple-phase estimation (RMPE) algorithms with Heisenberg-limited scaling. The proposed algorithms improve significantly from the…

Quantum Physics · Physics 2023-10-26 Haoya Li , Hongkang Ni , Lexing Ying

Quantum computing has been increasingly applied in nuclear physics. In this work, we combine quantum computing with the complex scaling method to address the resonance problem. Due to the non-Hermiticity introduced by complex scaling,…

Nuclear Theory · Physics 2024-09-11 Hantao Zhang , Dong Bai , Zhongzhou Ren

Sample complexity bounds are a common performance metric in the Reinforcement Learning literature. In the discounted cost, infinite horizon setting, all of the known bounds have a factor that is a polynomial in $1/(1-\gamma)$, where $\gamma…

Machine Learning · Computer Science 2020-07-09 Adithya M. Devraj , Sean P. Meyn

Principal component analysis is an important dimension reduction technique in machine learning. In [S. Lloyd, M. Mohseni and P. Rebentrost, Nature Physics 10, 631-633, (2014)], a quantum algorithm to implement principal component analysis…

Quantum Physics · Physics 2019-04-09 Changpeng Shao

We propose a scheme to restore spatial symmetry of Hamiltonian in the variational-quantum-eigensolver (VQE) algorithm for which the quantum circuit structures used usually break the Hamiltonian symmetry. The symmetry-adapted VQE scheme…

Quantum Physics · Physics 2020-06-01 Kazuhiro Seki , Tomonori Shirakawa , Seiji Yunoki

Nonlinear spectroscopy is a cornerstone of quantum science, providing unique access to multi-point correlations, quantum coherence, and couplings that are invisible to linear methods. However, classical simulation of these phenomena is…

Quantum Physics · Physics 2026-04-20 Long Xiong , Xiaoyang Wang , Xiaoxia Cai , Xiao Yuan