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In this paper, we propose a novel and powerful method to harness Bayesian optimization for Variational Quantum Eigensolvers (VQEs) -- a hybrid quantum-classical protocol used to approximate the ground state of a quantum Hamiltonian.…

Molecular quantum-dot Cellular Automata (QCA) may provide low-power, high-speed computational hardware for processing classical information. Simulation and modeling play an important role in the design of QCA circuits because fully-coherent…

Quantum Physics · Physics 2025-10-15 Nischal Binod Gautam , Enrique P. Blair

The rapid progress in quantum computing has opened up new possibilities for tackling complex scientific problems. Variational quantum eigensolver (VQE) holds the potential to solve quantum chemistry problems and achieve quantum advantages.…

Quantum Physics · Physics 2024-03-08 Linghua Zhu , Senwei Liang , Chao Yang , Xiaosong Li

This paper introduces the use of tailored variational forms for variational quantum eigensolver that have properties of representing certain constraints on the search domain of a linear constrained quadratic binary optimization problem…

Quantum Physics · Physics 2020-11-30 Miguel Paredes Quinones , Catarina Junqueira

Variational quantum circuits (VQCs) are an essential tool in applying noisy intermediate-scale quantum computers to practical problems. VQCs are used as a central component in many algorithms, for example, in quantum machine learning,…

Quantum Physics · Physics 2025-12-18 Joona V. Pankkonen , Lauri Ylinen , Matti Raasakka , Ilkka Tittonen

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…

We propose a variational quantum eigensolver (VQE) for the simulation of strongly-correlated quantum matter based on a multi-scale entanglement renormalization ansatz (MERA) and gradient-based optimization. This MERA quantum eigensolver can…

Quantum Physics · Physics 2023-09-04 Qiang Miao , Thomas Barthel

While variational quantum algorithms (VQAs) have demonstrated considerable success in unconstrained optimization, their application to constrained combinatorial problems face a trade-off. Penalty-based methods, despite their circuit…

Quantum Physics · Physics 2026-03-09 Hui-Min Li , Yuan-Liang Han , Zhi-Xi Wang , Shao-Ming Fei

We present a quantum information-inspired ansatz for the variational quantum eigensolver (VQE) and demonstrate its efficacy in calculating ground-state energies of atomic systems. Instead of adopting a heuristic approach, we start with an…

Quantum Physics · Physics 2025-08-19 Abdul Kalam , Prasenjit Deb , Akitada Sakurai , B. K. Sahoo , V. S. Prasannaa , B. P. Das

Current quantum simulators suffer from multiple limitations such as short coherence time, noisy operations, faulty readout and restricted qubit connectivity in some platforms. Variational quantum algorithms are the most promising approach…

Quantum Physics · Physics 2023-05-31 Chufan Lyu , Xiaoyu Tang , Junning Li , Xusheng Xu , Man-Hong Yung , Abolfazl Bayat

The Variational Quantum Eigensolver (VQE) is a Variational Quantum Algorithm (VQA) to determine the ground state of quantum-mechanical systems. As a VQA, it makes use of a classical computer to optimize parameter values for its quantum…

Quantum Physics · Physics 2025-11-13 Felix Truger , Johanna Barzen , Frank Leymann , Julian Obst

Quantum optimization algorithms offer a promising route to finding the ground states of target Hamiltonians on near-term quantum devices. None the less, it remains necessary to limit the evolution time and circuit depth as much as possible,…

Quantum Physics · Physics 2022-11-01 Chenfeng Cao , Yunlong Yu , Zipeng Wu , Nic Shannon , Bei Zeng , Robert Joynt

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…

Variational quantum algorithms have been one of the most intensively studied applications for near-term quantum computing applications. The noisy intermediate-scale quantum (NISQ) regime, where small enough algorithms can be run…

Quantum Physics · Physics 2023-01-19 Sebastian Brandhofer , Simon Devitt , Ilia Polian

Quantum Computing is believed to be the ultimate solution for quantum chemistry problems. Before the advent of large-scale, fully fault-tolerant quantum computers, the variational quantum eigensolver~(VQE) is a promising heuristic quantum…

Quantum Physics · Physics 2023-12-06 Chu Guo , Yi Fan , Zhiqian Xu , Honghui Shang

The Coupled Cluster (CC) method is used to compute the electronic correlation energy in atoms and molecules and often leads to highly accurate results. However, due to its single-reference nature, standard CC in its projected form fails to…

We present a new optimization method for small-to-intermediate scale variational algorithms on noisy near-term quantum processors which uses a Gaussian process surrogate model equipped with a classically-evaluated quantum kernel.…

Quantum Physics · Physics 2023-08-16 Alistair W. R. Smith , A. J. Paige , M. S. Kim

The Variational Quantum Eigensolver (VQE) is widely regarded as a promising algorithm for calculating ground states of quantum systems that are intractable for classical computers. This promise is typically motivated by the hope of…

Quantum Physics · Physics 2026-04-13 Manuel Hagelueken , David A. Kreplin , Florian Wieland , Marco F. Huber , Marco Roth

Quantum algorithms offer a compelling new avenue for addressing difficult NP-complete optimization problems, such as the Generalized Assignment Problem (GAP). Given the operational constraints of contemporary Noisy Intermediate-Scale…

Quantum Physics · Physics 2025-11-05 Carlo Mastroianni , Francesco Plastina , Jacopo Settino , Andrea Vinci

We present high-precision quantum computing simulations of three-body atoms (He, H$^-$) and molecules (H$_2^+$, HD$^+$), the latter being studied beyond the Born-Oppenheimer approximation. The Non-Iterative Disentangled Unitary Coupled…

Quantum Physics · Physics 2025-10-22 Mohammad Haidar , Hugo D. Nogueira , J. -Ph. Karr
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