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Academic and industrial sectors have been engaged in a fierce competition to develop quantum technologies, fueled by the explosive advancements in quantum hardware. While universal quantum computers have been shown to support up to hundreds…

Quantum Physics · Physics 2024-07-04 Amedeo Bertuzzi , Davide Ferrari , Antonio Manzalini , Michele Amoretti

This paper presents a novel and efficient approach for the computation of energy eigenvalues in quantum semiconductor heterostructures. Accurate determination of the electronic states in these heterostructures is crucial for understanding…

Mesoscale and Nanoscale Physics · Physics 2024-06-18 J. D. Phan , A. -V. Phan

The single excitation subspace (SES) method for universal quantum simulation is investigated for a number of diatomic molecular collision complexes. Assuming a system of $n$ tunably-coupled, and fully-connected superconducting qubits,…

Quantum Physics · Physics 2016-02-02 P. C. Stancil , H. You , A. Cook , A. T. Sornborger , M. R. Geller

Recent advances in machine learning have facilitated numerically accurate solution of the electronic Schr\"{o}dinger equation (SE) by integrating various neural network (NN)-based wavefunction ansatzes with variational Monte Carlo methods.…

Chemical Physics · Physics 2024-12-13 Yaolong Zhang , Bin Jiang , Hua Guo

The number of measurements demanded by hybrid quantum-classical algorithms such as the variational quantum eigensolver (VQE) is prohibitively high for many problems of practical value. For such problems, realizing quantum advantage will…

Quantum Physics · Physics 2021-03-24 Guoming Wang , Dax Enshan Koh , Peter D. Johnson , Yudong Cao

In the Noisy Intermediate-Scale Quantum (NISQ) era, solving the electronic structure problem from chemistry is considered as the "killer application" for near-term quantum devices. In spite of the success of variational hybrid…

In this work, we present the integration of Qiskit Nature's quantum chemistry solvers into the Atomic Simulation Environment (ASE), enabling hybrid quantum-classical workflows for force-driven atomistic simulations. This coupling allows the…

Quantum Physics · Physics 2026-02-04 Wilke Dononelli

Current gate-based quantum computers have the potential to provide a computational advantage if algorithms use quantum hardware efficiently. To make combinatorial optimization more efficient, we introduce the Filtering Variational Quantum…

Simulating a quantum system is more efficient on a quantum computer than on a classical computer. The time required for solving the Schr\"odinger equation to obtain molecular energies has been demonstrated to scale polynomially with system…

Quantum Physics · Physics 2019-03-27 Hefeng Wang , Sabre Kais , Alán Aspuru-Guzik , Mark R. Hoffmann

Variational Quantum optimization algorithms, such as the Variational Quantum Eigensolver (VQE) or the Quantum Approximate Optimization Algorithm (QAOA), are among the most studied quantum algorithms. In our work, we evaluate and improve an…

Quantum Physics · Physics 2022-10-24 David Winderl , Nicola Franco , Jeanette Miriam Lorenz

We present quantum algorithms, for Hamiltonians of linear combinations of local unitary operators, for Hamiltonian matrix-vector products and for preconditioning with the inverse of shifted reduced Hamiltonian operator that contributes to…

Quantum Physics · Physics 2020-09-09 Zhiyong Zhang

The study of spontaneous supersymmetry breaking (SSB) on the lattice is obstructed by a severe sign problem. Quantum computing provides a promising alternative approach. In particular, properties of supersymmetry relate SSB to the…

Quantum Physics · Physics 2026-03-20 John Kerfoot , David Schaich , Emanuele Mendicelli

We introduce the Cyclic Variational Quantum Eigensolver (CVQE), a hardware-efficient framework for accurate ground-state quantum simulation on noisy intermediate-scale quantum (NISQ) devices. CVQE departs from conventional VQE by…

Quantum Physics · Physics 2025-09-17 Hao Zhang , Ayush Asthana

Quantum error correction (QEC) is essential for reliable quantum information processing. Targeting a particular error channel, both the encoding and the recovery channel can be optimized through a biconvex optimization to give a…

Quantum Physics · Physics 2025-05-20 Xuanhui Mao , Qian Xu , Liang Jiang

Quantum data encoding (QDE) enables faster com-putations than classical algorithms through superposition and en-tanglement. Circuit cutting and knitting are effective techniques for ameliorating current noisy quantum processing unit (QPUs)…

Quantum Physics · Physics 2025-11-19 Ziqing Guo , Jan Balewski , Kewen Xiao , Ziwen Pan

Solving the electronic structure problem using the Variational Quantum Eigensolver (VQE) technique involves measurement of the Hamiltonian expectation value. Current hardware can perform only projective single-qubit measurements, and thus,…

Quantum Physics · Physics 2020-04-22 Vladyslav Verteletskyi , Tzu-Ching Yen , Artur F. Izmaylov

Adaptive variational quantum algorithms arguably offer the best prospects for quantum advantage in the Noisy Intermediate-Scale Quantum era. Since the inception of the first such algorithm, the Adaptive Derivative-Assembled Problem-Tailored…

Achieving quantum advantage in efficiently estimating collective properties of quantum many-body systems remains a fundamental goal in quantum computing. While the quantum gradient estimation (QGE) algorithm has been shown to achieve doubly…

Quantum Physics · Physics 2025-05-05 Yuki Koizumi , Kaito Wada , Wataru Mizukami , Nobuyuki Yoshioka

A novel hybrid quantum-classical approach has been developed to efficiently address the multireference quantum chemistry problem. The Handover Iterative Variational Quantum Eigensolver (HiVQE) is designed to accurately estimate ground-state…

Variational quantum eigensolver (VQE) is regarded as a promising candidate of hybrid quantum-classical algorithm for the near-term quantum computers. Meanwhile, VQE is confronted with a challenge that statistical error associated with the…

Quantum Physics · Physics 2023-12-12 Ken N. Okada , Keita Osaki , Kosuke Mitarai , Keisuke Fujii