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Slater determinants have underpinned quantum chemistry for nearly a century, yet their full potential has remained challenging to exploit. In this work, we show that a variational wavefunction composed of a few hundred optimized…

Chemical Physics · Physics 2026-04-17 Clemens Giuliani , Jannes Nys , Rocco Martinazzo , Giuseppe Carleo , Riccardo Rossi

Finding the ground state of a Hamiltonian system is of great significance in many-body quantum physics and quantum chemistry. We propose an improved iterative quantum algorithm to prepare the ground state of a Hamiltonian. The crucial point…

Quantum Physics · Physics 2022-10-25 Jin-Min Liang , Qiao-Qiao Lv , Shu-Qian Shen , Ming Li , Zhi-Xi Wang , Shao-Ming Fei

This paper explores the use of quantum computing, specifically the use of HHL and VQLS algorithms, to solve optimal power flow problem in electrical grids. We investigate the effectiveness of these quantum algorithms in comparison to…

Quantum Physics · Physics 2024-12-10 Sajad Fathi Hafshejani , Md Mohsin Uddin , David Neufeld , Daya Gaur , Robert Benkoczi

Variational quantum algorithms are considered to be appealing applications of near-term quantum computers. However, it has been unclear whether they can outperform classical algorithms or not. To reveal their limitations, we must seek a…

Quantum Physics · Physics 2020-12-15 Kosuke Mitarai , Yasunari Suzuki , Wataru Mizukami , Yuya O. Nakagawa , Keisuke Fujii

For a large class of variational quantum circuits, we show how arbitrary-order derivatives can be analytically evaluated in terms of simple parameter-shift rules, i.e., by running the same circuit with different shifts of the parameters. As…

Quantum Physics · Physics 2021-03-03 Andrea Mari , Thomas R. Bromley , Nathan Killoran

Universal fault-tolerant quantum computers will require error-free execution of long sequences of quantum gate operations, which is expected to involve millions of physical qubits. Before the full power of such machines will be available,…

The simulation of quantum dynamics calls for quantum algorithms working in first quantized grid encodings. Here, we propose a variational quantum algorithm for performing quantum dynamics in first quantization. In addition to the usual…

Variational quantum algorithms (VQAs) are a modern family of quantum algorithms designed to solve optimization problems using a quantum computer. Typically VQAs rely on a feedback loop between the quantum device and a classical optimization…

Quantum Physics · Physics 2022-08-26 Alexey Uvarov

This article proposes a Variational Quantum Algorithm to solve linear and nonlinear thermofluid dynamic transport equations. The hybrid classical-quantum framework is applied to problems governed by the heat, wave, and Burgers' equation in…

Quantum Physics · Physics 2025-11-06 Sergio Bengoechea , Paul Over , Dieter Jaksch , Thomas Rung

We provide practical simulation methods for scalar field theories on a quantum computer that yield improved asymptotics as well as concrete gate estimates for the simulation and physical qubit estimates using the surface code. We achieve…

In the noisy intermediate-scale quantum era, variational quantum algorithms (VQAs) have emerged as a promising avenue to obtain quantum advantage. However, the success of VQAs depends on the expressive power of parameterised quantum…

Quantum Physics · Physics 2024-05-15 Yingli Yang , Zongkang Zhang , Anbang Wang , Xiaosi Xu , Xiaoting Wang , Ying Li

Quantum algorithms for electronic-structure simulations are actively being developed, yet many hybrid quantum-classical approaches are bottlenecked by the measurement overhead associated with large molecular Hamiltonians. Here we introduce…

Quantum Physics · Physics 2026-03-10 Benjamin Mokhtar , Noboru Inoue , Takashi Tsuchimochi

We propose a variational alternative to the Trotter-Suzuki decomposition that provides greater control over errors while preserving the unitary structure of time evolution. The variational parameters in our ansatz are derived from a global…

Quantum Physics · Physics 2025-11-20 Ibsal Assi , Michael Vogl , Meenu Kumari , J. P. F. LeBlanc

The problem of sampling outputs of quantum circuits has been proposed as a candidate for demonstrating a quantum computational advantage (sometimes referred to as quantum "supremacy"). In this work, we investigate whether quantum advantage…

Quantum Physics · Physics 2021-06-09 Leonardo Novo , Juani Bermejo-Vega , Raúl García-Patrón

Variational quantum algorithms (VQAs) hold great potentials for near-term applications and are promising to achieve quantum advantage on practical tasks. However, VQAs suffer from severe barren plateau problem as well as have a large…

Quantum Physics · Physics 2023-09-27 Shuo Liu , Shi-Xin Zhang , Shao-Kai Jian , Hong Yao

We present two techniques that can greatly reduce the number of gates required to realize an energy measurement, with application to ground state preparation in quantum simulations. The first technique realizes that to prepare the ground…

Quantum Physics · Physics 2018-08-28 David Poulin , Alexei Kitaev , Damian S. Steiger , Matthew B. Hastings , Matthias Troyer

We develop a quantum-classical hybrid algorithm to calculate the analytical second-order derivative of the energy for the orbital-optimized variational quantum eigensolver (OO-VQE), which is a method to calculate eigenenergies of a given…

Chemical Physics · Physics 2023-04-19 Yuya O. Nakagawa , Jiabao Chen , Shotaro Sudo , Yu-ya Ohnishi , Wataru Mizukami

Classical optimization is a cornerstone of the success of variational quantum algorithms, which often require determining the derivatives of the cost function relative to variational parameters. The computation of the cost function and its…

Quantum Physics · Physics 2025-07-15 Muhammad Umer , Eleftherios Mastorakis , Dimitris G. Angelakis

The real- and imaginary-time evolution of quantum states are powerful tools in physics, chemistry, and beyond, to investigate quantum dynamics, prepare ground states or calculate thermodynamic observables. On near-term devices, variational…

Quantum Physics · Physics 2024-02-27 Julien Gacon , Jannes Nys , Riccardo Rossi , Stefan Woerner , Giuseppe Carleo

Recently, variational quantum metrology was proposed for Hamiltonians with multiplicative parameters, wherein the estimation precision can be optimized via variational circuits. However, systems with generic Hamiltonians still lack these…

Quantum Physics · Physics 2023-09-25 Le Bin Ho