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One of the most promising applications of noisy intermediate-scale quantum computers is the simulation of molecular Hamiltonians using the variational quantum eigensolver. We show that encoding symmetries of the simulated Hamiltonian in the…

We propose a modification of the Variational Quantum Eigensolver algorithm for electronic structure optimization using quantum computers, named non-unitary Variational Quantum Eigensolver (nu-VQE), in which a non-unitary operator is…

Simulation of realistic classical mechanical systems is of great importance to many areas of engineering such as robotics, dynamics of rotating machinery and control theory. In this work, we develop quantum algorithms to estimate quantities…

Quantum Physics · Physics 2024-04-12 Hari Krovi

With a view toward addressing the explosive growth in the computational demands of nuclear structure and reactions modeling, we develop a novel quantum algorithm for neutron-nucleus simulations with general potentials, which provides…

Quantum Physics · Physics 2026-03-17 Soorya Rethinasamy , Ethan Guo , Alexander Wei , Mark M. Wilde , Kristina D. Launey

One of the key applications for quantum computers will be the simulation of other quantum systems that arise in chemistry, materials science, etc, in order to accelerate the process of discovery. It is important to ask: Can this be achieved…

Quantum Physics · Physics 2017-07-05 Ying Li , Simon C. Benjamin

The problem of finding superintegrable Hamiltonians and their integrals of motion can be reduced to solving a series of compatibility equations that result from the overdetermination of the commutator or Poisson bracket relations. The…

Mathematical Physics · Physics 2025-12-23 Ian Marquette , Anthony Parr

Solving optimization problems using variational algorithms stands out as a crucial application for noisy intermediate-scale devices. Instead of constructing gate-based quantum computers, our focus centers on designing variational quantum…

Quantum Physics · Physics 2024-07-18 Yapeng Wang , Yongcheng Ding , Francisco Andrés Cárdenas-López , Xi Chen

Variational quantum algorithms (VQAs) have emerged as a promising near-term technique to explore practical quantum advantage on noisy intermediate-scale quantum (NISQ) devices. However, the inefficient parameter training process due to the…

Quantum Physics · Physics 2023-05-24 Yun-Fei Niu , Shuo Zhang , Chen Ding , Wan-Su Bao , He-Liang Huang

Variational quantum algorithms are tailored to perform within the constraints of current quantum devices, yet they are limited by performance-degrading errors. In this study, we consider a noise model that reflects realistic gate errors…

The computation of molecular excitation energies is essential for predicting photo-induced reactions of chemical and technological interest. While the classical computing resources needed for this task scale poorly, quantum algorithms…

VQE is currently one of the most widely used algorithms for optimizing problems using quantum computers. A necessary step in this algorithm is calculating the expectation value given a state, which is calculated by decomposing the…

Quantum Physics · Physics 2021-06-17 Guillermo Alonso-Linaje , Parfait Atchade-Adelomou

Adiabatic quantum computing is a universal model for quantum computing whose implementation using a gate-based quantum computer requires depths that are unreachable in the early fault-tolerant era. To mitigate the limitations of near-term…

Quantum Physics · Physics 2024-10-18 Ioannis Kolotouros , Ioannis Petrongonas , Miloš Prokop , Petros Wallden

The quantum approximate optimisation algorithm was proposed as a heuristic method for solving combinatorial optimisation problems on near-term quantum computers and may be among the first algorithms to perform useful computations in the…

Quantum Physics · Physics 2022-11-10 David Headley , Thorge Müller , Ana Martin , Enrique Solano , Mikel Sanz , Frank K. Wilhelm

Quantum Variational Circuits (QVCs) are often claimed as one of the most potent uses of both near term and long term quantum hardware. The standard approaches to optimizing these circuits rely on a classical system to compute the new…

Quantum Physics · Physics 2022-02-11 Owen Lockwood

The most widely used approach for simulating the dynamics of time-dependent Hamiltonians via quantum computation depends on the quantum-classical hybrid variational quantum time evolution algorithm, in which ordinary differential equations…

Quantum Physics · Physics 2026-03-19 Minchen Qiao , Zi-Ming Li , Yu-xi Liu

We present a quantum algorithm for simulating rovibrational Hamiltonians on fault-tolerant quantum computers. The method integrates exact curvilinear kinetic energy operators and general-form potential energy surfaces expressed in a hybrid…

Quantum Physics · Physics 2026-04-07 Michał Szczepanik , Ákos Nagy , Emil Żak

The variational quantum eigensolver (VQE) is a hybrid quantum-classical variational algorithm that produces an upper-bound estimate of the ground-state energy of a Hamiltonian. As quantum computers become more powerful and go beyond the…

Variational hybrid quantum-classical algorithms are some of the most promising workloads for near-term quantum computers without error correction. The aim of these variational algorithms is to guide the quantum system to a target state that…

Quantum Physics · Physics 2021-03-18 Shavindra P. Premaratne , A. Y. Matsuura

The variational quantum eigensolver (VQE) is a method that uses a hybrid quantum-classical computational approach to find eigenvalues and eigenvalues of a Hamiltonian. VQE has been proposed as an alternative to fully quantum algorithms such…

Quantum Physics · Physics 2021-09-01 Dmitry A. Fedorov , Bo Peng , Niranjan Govind , Yuri Alexeev

Large-scale variational quantum algorithms are widely recognized as a potential pathway to achieve practical quantum advantages. However, the presence of quantum noise might suppress and undermine these advantages, which blurs the…

Quantum Physics · Physics 2024-09-20 Yuguo Shao , Fuchuan Wei , Song Cheng , Zhengwei Liu