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Quantum computing has emerged as a promising technology for solving problems that are intractable for classical computers. In this study, we introduce quantum computing and implement the Variational Quantum Eigensolver (VQE) algorithm using…

Quantum Physics · Physics 2023-05-12 Maomin Qing , Wei Xie

Quantum simulation algorithms often require numerous ancilla qubits and deep circuits, prohibitive for near-term hardware. We introduce a framework for simulating quantum channels using ensembles of low-depth circuits in place of many-qubit…

Quantum Physics · Physics 2024-08-01 Joseph Peetz , Scott E. Smart , Prineha Narang

One of the potential applications of a quantum computer is solving quantum chemical systems. It is known that one of the fastest ways to obtain somewhat accurate solutions classically is to use approximations of density functional theory.…

Quantum Physics · Physics 2020-11-18 Thomas E. Baker , David Poulin

In the lead up to fault tolerance, the utility of quantum computing will be determined by how adequately the effects of noise can be circumvented in quantum algorithms. Hybrid quantum-classical algorithms such as the variational quantum…

Quantum simulation is a leading candidate for demonstrating practical quantum advantage over classical computation, as it is believed to provide exponentially more compute power than any classical system. It offers new means of studying the…

Quantum Physics · Physics 2026-01-23 Maja Franz , Lukas Schmidbauer , Joshua Ammermann , Ina Schaefer , Wolfgang Mauerer

For Hamiltonian systems, simulation algorithms that exactly conserve numerical energy or pseudo-energy have seen extensive investigation. Most available methods either require the iterative solution of nonlinear algebraic equations at each…

Numerical Analysis · Mathematics 2022-07-04 Stefan Bilbao , Michele Ducceschi , Fabiana Zama

The local Hamiltonian problem consists of estimating the ground-state energy (given by the minimum eigenvalue) of a local quantum Hamiltonian. First, we show the existence of a good product-state approximation for the ground-state energy of…

Quantum Physics · Physics 2016-02-04 Fernando G. S. L. Brandão , Aram W. Harrow

We develop circuit implementations for digital-level quantum Hamiltonian dynamics simulation algorithms suitable for implementation on a reconfigurable quantum computer, such as trapped ions. Our focus is on the co-design of a problem, its…

Quantum Physics · Physics 2020-04-09 Yunseong Nam , Dmitri Maslov

Sample-based quantum diagonalization (SQD) constructs subspaces from computational-basis configurations obtained via measurements of a quantum state, with the goal of approximating low-energy eigenspaces of many-body Hamiltonians. The…

Quantum Physics · Physics 2026-05-07 Cedric Gaberle , Manpreet Singh Jattana

Estimating the free energy in molecular simulation requires, implicitly or explicitly, counting how many times the system is observed in a finite region. If the simulation is biased by an external potential, the weight of the configurations…

Chemical Physics · Physics 2021-12-22 Matteo Carli , Alessandro Laio

We present a diffeomorphism-invariant formulation of differential entropy for Riemannian spaces, providing a fine-grained, coordinate-independent notion of quantum information for continuous variables in physical space. To this end, we…

Quantum Physics · Physics 2025-05-16 Pablo G. Camara

The variational quantum eigensolver (VQE) is a hybrid quantum-classical algorithm designed for current and near-term quantum devices. Despite its initial success, there is a lack of understanding involving several of its key aspects. There…

Quantum Physics · Physics 2023-03-22 Manpreet Singh Jattana , Fengping Jin , Hans De Raedt , Kristel Michielsen

Rydberg-atom quantum simulators are of keen interest because of their possibilities towards high-dimensional qubit architectures. Here we report three-dimensional conformation spectra of quantum-Ising Hamiltonian systems with programmed…

Quantum Physics · Physics 2021-01-04 Minhyuk Kim , Yunheung Song , Jaewan Kim , Jaewook Ahn

Quantum algorithms for simulating electronic ground states are slower than popular classical mean-field algorithms such as Hartree-Fock and density functional theory, but offer higher accuracy. Accordingly, quantum computers have been…

Hardware-efficient empirical variational ans\"atze for Variational Quantum Eigensolver simulations of Quantum Chemistry suffer from the lack of a direct connection to classical Quantum Chemistry methods. In the present work, we propose a…

Quantum Physics · Physics 2025-09-03 Davide Materia , Leonardo Ratini , Celestino Angeli , Leonardo Guidoni

Quantum computation is an attractive front for many problems that are intractable for computers today. One such problem is nonadiabatic quantum molecular dynamics, where quantized internal states coupling to parameterized modes result in a…

Quantum Physics · Physics 2026-04-22 Joshua Courtney

Simulations of quantum chemistry and quantum materials are believed to be among the most important potential applications of quantum information processors, but realizing practical quantum advantage for such problems is challenging. Here,…

We adapt a recent advance in resource-frugal quantum signal processing - the Quantum Eigenvalue Transform with Unitary matrices (QET-U) - to explore non-unitary imaginary time evolution on early fault-tolerant quantum computers using…

Quantum Physics · Physics 2023-04-12 Hans Hon Sang Chan , David Muñoz Ramo , Nathan Fitzpatrick

Quantum computers hold immense potential in the field of chemistry, ushering new frontiers to solve complex many body problems that are beyond the reach of classical computers. However, noise in the current quantum hardware limits their…

Quantum Physics · Physics 2024-03-20 Chayan Patra , Sonaldeep Halder , Rahul Maitra

Excited states of many-body quantum systems play a key role in a wide range of physical and chemical phenomena. Unlike ground states, for which many efficient variational techniques exist, there are few ways to systematically construct…

Quantum Physics · Physics 2025-08-04 D. A. Millar , L. W. Anderson , E. Altamura , O. Wallis , M. E. Sahin , J. Crain , S. J. Thomson