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Quantum computers potentially have an exponential advantage over classical computers for the quantum simulation of many-fermion quantum systems. Nonetheless, fermions are more expensive to simulate than bosons due to the fermionic encoding…

Quantum Physics · Physics 2022-06-29 Scott E. Smart , David A. Mazziotti

Variational Quantum Eigensolver (VQE) provides a powerful solution for approximating molecular ground state energies by combining quantum circuits and classical computers. However, estimating probabilistic outcomes on quantum hardware…

Quantum Physics · Physics 2024-05-07 Senwei Liang , Linghua Zhu , Xiaolin Liu , Chao Yang , Xiaosong Li

The variational quantum eigensolver (VQE) is a promising method for simulating molecular systems on near-term quantum computers. This approach employs energy estimation; however, other relevant molecular properties can be extracted from the…

Current universal quantum computers have a limited number of noisy qubits. Because of this, it is difficult to use them to solve large-scale complex optimization problems. In this paper we tackle this issue by proposing a quantum…

Quantum Physics · Physics 2023-06-30 Pablo Bermejo , Roman Orus

Variational quantum algorithms (VQA) based on Hamiltonian simulation represent a specialized class of quantum programs well-suited for near-term quantum computing applications due to its modest resource requirements in terms of qubits and…

Quantum Physics · Physics 2026-03-17 Zhaohui Yang , Dawei Ding , Chenghong Zhu , Jianxin Chen , Yuan Xie

In order to answer the problem of Quantum Phase Estimation Algorithm been not suitable for NISQ devices, and allows one to outperform classical computers, Variational Quantum Algorithms (VQAs) were designed. Our subject of interest is the…

Quantum Physics · Physics 2022-10-28 Max Alteg , Baptiste Chevalier , Octave Mestoudjian , Johan-Luca Rossi

Classical simulation of real-space quantum dynamics is challenging due to the exponential scaling of computational cost with system dimensions. Quantum computer offers the potential to simulate quantum dynamics with polynomial complexity;…

Quantum Physics · Physics 2021-10-13 Chee-Kong Lee , Chang-Yu Hsieh , Shengyu Zhang , Liang Shi

Quantum computing opens up new possibilities for the simulation of many-body nuclear systems. As the number of particles in a many-body system increases, the size of the space if the associated Hamiltonian increases exponentially. This…

Quantum Physics · Physics 2022-09-19 Isaac Hobday , Paul Stevenson , James Benstead

The ground state search problem is central to quantum computing, with applications spanning quantum chemistry, condensed matter physics, and optimization. The Variational Quantum Eigensolver (VQE) has shown promise for small systems but…

Quantum Physics · Physics 2026-03-26 Alexander Holden , Moinul Hossain Rahat , Nii Osae Osae Dade

Variational quantum eigensolver (VQE), which combines quantum systems with classical computational power, has been arisen as a promising candidate for near-term quantum computing applications. However, the experimental resources such as the…

A central challenge in quantum machine learning is the design and training of parameterized quantum circuits (PQCs). Much like in deep learning, vanishing gradients pose significant obstacles to the trainability of PQCs, arising from…

A projective measurement of energy (PME) on a quantum system is a quantum measurement, determined by the Hamiltonian of the system. PME protocols exist when the Hamiltonian is given in advance. Unknown Hamiltonians can be identified by…

Quantum Physics · Physics 2015-05-20 Shojun Nakayama , Akihito Soeda , Mio Murao

We propose an optimization method for the Variational Quantum Eigensolver (VQE) that combines adaptive and physics-inspired ansatz design. Instead of optimizing multiple layers simultaneously, the ansatz is built incrementally from its…

Quantum Physics · Physics 2025-09-17 Cedric Gaberle , Manpreet Singh Jattana

Quantum chemistry provides a target for quantum simulation of considerable scientific interest and industrial importance. The majority of algorithms to date have been based on a second-quantized representation of the electronic structure…

Quantum Physics · Physics 2013-12-17 Borzu Toloui , Peter J. Love

Solving partial differential equations for extremely large-scale systems within a feasible computation time serves in accelerating engineering developments. Quantum computing algorithms, particularly the Hamiltonian simulations, present a…

Quantum Physics · Physics 2024-09-10 Yuki Sato , Ruho Kondo , Ikko Hamamura , Tamiya Onodera , Naoki Yamamoto

The development of quantum algorithms and their application to quantum chemistry has introduced new opportunities for solving complex molecular problems that are computationally infeasible for classical methods. In quantum chemistry, the…

Quantum Physics · Physics 2025-08-18 Fabio Tarocco , Davide Materia , Leonardo Ratini , Leonardo Guidoni

Quantum chemistry applications on quantum computers currently rely heavily on the variational quantum eigensolver (VQE) algorithm. This hybrid quantum-classical algorithm aims at finding ground state solutions of molecular systems based on…

Accurately describing strongly correlated systems with affordable quantum resources remains a central challenge for quantum chemistry applications on near and intermediate-term quantum computers. The localized active space self-consistent…

Recently, an adaptive variational algorithm termed Adaptive Derivative-Assembled Pseudo-Trotter ansatz Variational Quantum Eigensolver (ADAPT-VQE) has been proposed by Grimsley et al. (Nat. Commun. 10, 3007) while the number of measurements…

Quantum Physics · Physics 2021-07-28 Jie Liu , Zhenyu Li , Jinlong Yang

The variational quantum eigensolver (VQE) remains one of the most popular near-term quantum algorithms for solving the electronic structure problem. Yet, for its practicality, the main challenge to overcome is improving the quantum…

Quantum Physics · Physics 2023-05-11 Seonghoon Choi , Artur F. Izmaylov
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