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We present a novel method for improving the quantum simulation of the ground state energy of molecules. We perform a pre-processing step classically, which reduces the dimensionality of the problem by generating a custom mapping which…

Quantum Physics · Physics 2023-03-03 Kaur Kristjuhan , Mark Nicholas Jones

Quantum chemistry is envisioned as an early and disruptive application for quantum computers. Yet, closer scrutiny of the proposed algorithms shows that there are considerable difficulties along the way. Here, we propose two criteria for…

Quantum Physics · Physics 2026-04-09 Thibaud Louvet , Thomas Ayral , Xavier Waintal

Quantum computation with Trotter product formulae is straightforward and requires little overhead in terms of logical qubits. The choice of the orbital basis significantly affects circuit depth, with localised orbitals yielding lowest…

Quantum Physics · Physics 2026-02-24 Marvin Kronenberger , Mihael Erakovic , Markus Reiher

The U(1,1) and U(2) transformations realized by three-mode interaction in the respective parametric approximations are studied in conditional measurement, and the corresponding non-unitary transformation operators are derived. As an…

Quantum Physics · Physics 2016-04-05 J. Clausen , H. Hansen , L. Knoll , J. Mlynek , D. -G. Welsch

The content of phase information of an arbitrary phase--sensitive measurement is evaluated using the maximum likelihood estimation. The phase distribution is characterized by the relative entropy--a nonlinear functional of input quantum…

Quantum Physics · Physics 2016-08-15 Zdeněk Hradil , Robert Myška , Tomáš Opatrný , Jiří Bajer

Quantum Imaginary-Time Evolution (QITE) is a powerful method for preparing ground states on quantum hardware. However, executing QITE has costly measurement budgets for general Hamiltonians. Both fidelity and computational cost are strongly…

Quantum Physics · Physics 2025-12-12 Julio Del Castillo , Mats Granath , Evert van Nieuwenburg

The traditional framework of quantum metrology commonly assumes unlimited access to resources, overlooking resource constraints in realistic scenarios. As such, the optimal strategies therein can be infeasible in practice. Here, we…

Quantum Physics · Physics 2026-02-25 Longyun Chen , Yuxiang Yang

Here we revisit the quantum phase estimation (QPE) algorithm, and devise an iterative method to improve the precision of QPE with propagators over a variety of time spans. For a given propagator and a certain eigenstate as input, QPE with…

Quantum Physics · Physics 2024-04-09 Junxu Li

One of the main applications of future quantum computers will be the simulation of quantum models. While the evolution of a quantum state under a Hamiltonian is straightforward (if sometimes expensive), using quantum computers to determine…

We present a hardware-validated reference dataset for variational ground-state energy calculations of the hydrogen molecule H\(_2\) on several IBM Quantum processors available in 2026. Using a standardized workflow, we benchmark the impact…

Quantum Physics · Physics 2026-04-14 Julen Larrucea , Marita Oliv , Jeanette Lorenz

Quantum computers can be used to calculate the electronic structure and estimate the ground state energy of many-electron molecular systems. In the present study, we implement the Variational Quantum Eigensolver (VQE) algorithm, as a hybrid…

Quantum Physics · Physics 2024-11-11 Hamid Reza Naeij , Erfan Mahmoudi , Hossein Davoodi Yeganeh , Mohsen Akbari

We compare recently proposed methods to compute the electronic state energies of the water molecule on a quantum computer. The methods include the phase estimation algorithm based on Trotter decomposition, the phase estimation algorithm…

Quantum Physics · Physics 2019-07-24 Teng Bian , Daniel Murphy , Rongxin Xia , Ammar Daskin , Sabre Kais

Quantum computing holds immense promise for simulating quantum systems, a critical task for advancing our understanding of complex quantum phenomena. One of the primary goals in this domain is to accurately approximate the ground state of…

Quantum Physics · Physics 2024-11-28 Thilo R. Müller , Manuel Geiger , Christian B. Mendl

The quantum phase transition in an atom-molecule conversion system with atomic hopping between different hyperfine states is studied. In mean field approximation, we give the phase diagram whose phase boundary only depends on the atomic…

Quantum Gases · Physics 2015-06-12 Ning-Ju Hui , Li-Hua Lu , Xiao-Qiang Xu , You-Quan Li

Multiparameter quantum estimation theory aims to determine simultaneously the ultimate precision of all parameters contained in the state of a given quantum system. Determining this ultimate precision depends on the quantum Fisher…

Quantum Physics · Physics 2020-09-15 Lahcen Bakmou , Mohammed Daoud , Rachid ahl laamara

In this work we investigate methods to improve the efficiency and scalability of quantum algorithms for quantum chemistry applications. We propose a transformation of the electronic structure Hamiltonian in the second quantization framework…

The Trotter product formula is a key instrument in numerical simulations of quantum systems. However, computers cannot deal with continuous degrees of freedom, such as the position of particles in molecules, or the amplitude of…

Quantum Physics · Physics 2024-02-29 Daniel Burgarth , Niklas Galke , Alexander Hahn , Lauritz van Luijk

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

We tackle the issue of estimating dynamical parameters in quantum electrodynamics. We numerically compute the quantum Fisher information matrix (QFIM) of physical parameters in electron-muon and Compton scattering at tree level. In…

Quantum Physics · Physics 2025-09-08 Preslav Asenov , WenHan Zhang , Alessio Serafini

A new basis adaptive algorithm for hybrid quantum-classical platforms is introduced to efficiently find the ground-state (gs) properties of quantum many-body systems. The method addresses limitations of many algorithms, such as Variational…

Strongly Correlated Electrons · Physics 2025-12-16 Anutosh Biswas , Sayan Ghosh , Ritajit Majumdar , Mostafizur Rahaman , Manoranjan Kumar
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