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Subspace diagonalisation methods have appeared recently as promising means to access the ground state and some excited states of molecular Hamiltonians by classically diagonalising small matrices, whose elements can be efficiently obtained…

Quantum Physics · Physics 2024-03-13 Maria-Andreea Filip , David Muñoz Ramo , Nathan Fitzpatrick

We provide a modification to the quantum phase estimation algorithm (QPEA) inspired on classical windowing methods for spectral density estimation. From this modification we obtain an upper bound in the cost that implies a cubic improvement…

Quantum Physics · Physics 2022-08-31 Gumaro Rendon , Taku Izubuchi , Yuta Kikuchi

Recent work has deployed linear combinations of unitaries techniques to reduce the cost of fault-tolerant quantum simulations of correlated electron models. Here, we show that one can sometimes improve upon those results with optimized…

Quantum algorithms for ground-state energy estimation of chemical systems require a high-quality initial state. However, initial state preparation is commonly either neglected entirely, or assumed to be solved by a simple product state like…

Computing many-body ground state energies and resolving electronic structure calculations are fundamental problems for fields such as quantum chemistry or condensed matter. Several quantum computing algorithms that address these problems…

Quantum Physics · Physics 2023-01-12 Karen J. Morenz Korol , Kenny Choo , Antonio Mezzacapo

Quantum phase estimation (QPE) is the key subroutine of several quantum computing algorithms as well as a central ingredient in quantum computational chemistry and quantum simulation. While QPE strategies have focused on the estimation of a…

Quantum Physics · Physics 2021-07-26 Valentin Gebhart , Augusto Smerzi , Luca Pezzè

We present a scalable formal verification methodology for Quantum Phase Estimation (QPE) circuits. Our approach uses a symbolic qubit abstraction based on quantifier-free bit-vector logic, capturing key quantum phenomena, including…

Quantum Physics · Physics 2026-03-20 Arun Govindankutty , Sudarshan K. Srinivasan

In this work we present a detailed analysis of variational quantum phase estimation (VQPE), a method based on real-time evolution for ground and excited state estimation on near-term hardware. We derive the theoretical ground on which the…

Quantum phase estimation (QPE) is one of the most important subroutines in quantum computing. In general applications, current QPE algorithms either suffer an exponential time overload or require a set of - notoriously quite fragile - GHZ…

Quantum Physics · Physics 2021-10-04 Luca Pezzè , Augusto Smerzi

Quantum phase estimation (QPE) is a cornerstone algorithm for extracting Hamiltonian eigenvalues, but its standard, eigenstate-centric form relies on carefully prepared coherent inputs that are costly or impractical for many strongly…

Quantum Physics · Physics 2025-12-10 Stefano Scali , Josh Kirsopp , Antonio Márquez Romero , Michał Krompiec

We show how the use of variational states to approximate the ground state of a system can be employed to study a multi-mode Dicke model. One of the main contributions of this work is the introduction of a not very commonly used quantity,…

Quantum Physics · Physics 2020-06-19 L. F. Quezada , E. Nahmad-Achar

Quantum phase estimation (QPE) is a promising quantum algorithm for obtaining molecular ground-state energies with chemical accuracy. However, its computational cost, dominated by the Hamiltonian 1-norm $\lambda$ and the cost of the block…

Trotter approximation in conjunction with Quantum Phase Estimation can be used to extract eigen-energies of a many-body Hamiltonian on a quantum computer. There were several ways proposed to assess the quality of this approximation based on…

Dynamical response functions are fundamental quantities to describe the excited-state properties in quantum many-body systems. Quantum algorithms have been proposed to evaluate these quantities by means of quantum phase estimation (QPE),…

Quantum Physics · Physics 2024-08-27 Rei Sakuma , Shu Kanno , Kenji Sugisaki , Takashi Abe , Naoki Yamamoto

We present the first demonstration of an end-to-end pipeline with quantum error correction (QEC) for a quantum computation of the electronic structure of molecular systems. We calculate the ground-state energy of molecular hydrogen, using…

Accurate state preparation is a critical bottleneck in many quantum algorithms, particularly those for ground state energy estimation. Even in fault-tolerant quantum computing, preparing a quantum state with sufficient overlap to the…

Quantum Physics · Physics 2025-10-07 Gwonhak Lee , Minhyeok Kang , Jungsoo Hong , Stepan Fomichev , Joonsuk Huh

Considering recent advancements and successes in the development of efficient quantum algorithms for electronic structure calculations --- alongside impressive results using machine learning techniques for computation --- hybridizing…

Quantum Physics · Physics 2018-10-24 Rongxin Xia , Sabre Kais

Filtering is an important technique in quantum computing used for isolating or enhancing some specific states of quantum many-body systems. In this paper, we analyze the performance of filters based on the quantum phase estimation (QPE)…

Variational quantum algorithms (VQAs) are prominent candidates for near-term quantum advantage but lack rigorous guarantees of convergence and generalization. By contrast, quantum phase estimation (QPE) provides provable performance under…

Quantum Physics · Physics 2025-10-09 Tuyen Nguyen , Mária Kieferová

A milestone in the field of quantum computing will be solving problems in quantum chemistry and materials faster than state-of-the-art classical methods. The current understanding is that achieving quantum advantage in this area will…

Quantum Physics · Physics 2023-11-08 Guoming Wang , Daniel Stilck França , Ruizhe Zhang , Shuchen Zhu , Peter D. Johnson