English
Related papers

Related papers: Quantum computing methods for electronic states of…

200 papers

Quantum chemistry simulations that accurately predict the properties of materials are among the most highly anticipated applications of quantum computing. It is widely believed that simulations running on quantum computers will allow for…

For the variational quantum eigensolver we propose to generate trial wavefunctions from a small amount of selected Pauli terms of the problem Hamiltonian. Two different approaches, one inspired by the quantum approximate optimization…

Quantum Physics · Physics 2019-08-27 Gian Salis , Nikolaj Moll

We consider performing phase estimation under the following conditions: we are given only one copy of the input state, the input state does not have to be an eigenstate of the unitary, and the state must not be measured. Most quantum…

Quantum Physics · Physics 2022-12-13 Patrick Rall

We propose a quantum algorithm to simulate the dynamics in quantum chemistry problems. It is based on adding fresh qubits at each Trotter step, which enables a simpler implementation of the dynamics in the extended system. After each step,…

Quantum Physics · Physics 2025-02-07 Maxine Luo , J. Ignacio Cirac

A new algorithm for solving the Navier-Stokes equations (NSE) on a quantum device is presented. For the fluid flow equations the stream function-vorticity formulation is adopted, while the lattice Boltzmann method (LBM) is utilized for…

Quantum Physics · Physics 2023-09-21 Ljubomir Budinski

Measuring expectation values of observables is an essential ingredient in variational quantum algorithms. A practical obstacle is the necessity of a large number of measurements for statistical convergence to meet requirements of precision,…

Quantum Physics · Physics 2022-09-07 Masaya Kohda , Ryosuke Imai , Keita Kanno , Kosuke Mitarai , Wataru Mizukami , Yuya O. Nakagawa

We report a first demonstration for the application of quantum computing to heavy quarkonium spectroscopy study. Based on a Cornell-potential model for the heavy quark and antiquark system, we show how this Hamiltonian problem can be…

Nuclear Theory · Physics 2023-04-26 Daniel Gallimore , Jinfeng Liao

Quantum Process Tomography (QPT) methods aim at identifying, i.e. estimating, a quantum process. QPT is a major quantum information processing tool, since it especially allows one to experimentally characterize the actual behavior of…

Quantum Physics · Physics 2025-06-27 Yannick Deville , Alain Deville

We propose quantum methods for solving differential equations that are based on a gradual improvement of the solution via an iterative process, and are targeted at applications in fluid dynamics. First, we implement the Jacobi iteration on…

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

Quantum simulation of quantum chemistry is one of the most compelling applications of quantum computing. It is of particular importance in areas ranging from materials science, biochemistry and condensed matter physics. Here, we propose a…

Quantum Physics · Physics 2020-02-25 Shijie Wei , Hang Li , GuiLu Long

Solving electronic structure problems is considered one of the most promising applications of quantum computing. However, due to limitations imposed by the coherence time of qubits in the Noisy Intermediate Scale Quantum (NISQ) era or the…

Quantum Physics · Physics 2025-03-20 Shuo Sun , Chandan Kumar , Kevin Shen , Elvira Shishenina , Christian B. Mendl

A key requirement to perform simulations of large quantum systems on near-term quantum hardware is the design of quantum algorithms with short circuit depth that finish within the available coherence time. A way to stay within the limits of…

Current implementations of the Variational Quantum Eigensolver (VQE) technique for solving the electronic structure problem involve splitting the system qubit Hamiltonian into parts whose elements commute within their single qubit…

Quantum Physics · Physics 2019-10-08 Artur F. Izmaylov , Tzu-Ching Yen , Ilya G. Ryabinkin

Power system fault diagnosis is crucial for identifying the location and causes of faults and providing decision-making support for power dispatchers. However, most classical methods suffer from significant time-consuming, memory overhead,…

Systems and Control · Electrical Eng. & Systems 2024-01-19 Xiang Fei , Huan Zhao , Xiyuan Zhou , Junhua Zhao , Ting Shu , Fushuan Wen

The ability of quantum computers to overcome the exponential memory scaling of many-body problems is expected to transform quantum chemistry. Quantum algorithms require accurate representations of electronic states on a quantum device, but…

Chemical Physics · Physics 2024-04-26 Hugh G. A. Burton

We introduce novel algorithms for the quantum simulation of molecular systems which are asymptotically more efficient than those based on the Trotter-Suzuki decomposition. We present the first application of a recently developed technique…

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

In computational molecular science, calculation of electrostatic interactions involving charged atoms - the strongest interactions in condensed phases, is a major bottleneck. We propose a quantum-classical algorithm for fast, yet, accurate…

Quantum Physics · Physics 2026-02-18 Mansur Ziiatdinov , Igor Novikov , Farid Ablayev , Valeri Barsegov

By exploiting the invariance of the molecular Hamiltonian by a unitary transformation of the orbitals it is possible to significantly shorter the depth of the variational circuit in the Variational Quantum Eigensolver (VQE) algorithm by…

Quantum Physics · Physics 2025-09-03 Leonardo Ratini , Chiara Capecci , Leonardo Guidoni