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The Adaptive Derivative-Assembled Pseudo-Trotter Variational Quantum Eigensolver (ADAPT-VQE) has emerged as a pivotal promising approach for electronic structure challenges in quantum chemistry with noisy quantum devices. Nevertheless, to…

Quantum computing is entering a transformative phase with the emergence of logical quantum processors, which hold the potential to tackle complex problems beyond classical capabilities. While significant progress has been made, applying…

Quantum Physics · Physics 2025-01-29 Shunya Minami , Kouhei Nakaji , Yohichi Suzuki , Alán Aspuru-Guzik , Tadashi Kadowaki

Portfolio optimization is a fundamental problem in finance that aims to determine the optimal allocation of assets within a portfolio to maximize returns while minimizing risk. It can be formulated as a Quadratic Unconstrained Binary…

Quantum Physics · Physics 2025-08-27 Anbang Wang , Zhonggang Lv , Zhenyuan Ma , Dunbo Cai , Zhihong Zhang

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.…

Variational Quantum Eigensolver (VQE) is a hybrid algorithm for finding the minimum eigenvalue/vector of a given Hamiltonian by optimizing a parametrized quantum circuit (PQC) using a classical computer. Sequential optimization methods,…

Quantum Physics · Physics 2024-05-17 Katsuhiro Endo , Yuki Sato , Rudy Raymond , Kaito Wada , Naoki Yamamoto , Hiroshi C. Watanabe

Quantum embedding is a fundamental prerequisite for applying quantum machine learning techniques to classical data, and has substantial impacts on performance outcomes. In this study, we present Neural Quantum Embedding (NQE), a method that…

Quantum Physics · Physics 2024-08-12 Tak Hur , Israel F. Araujo , Daniel K. Park

Quantum computing presents a promising avenue for solving complex problems, particularly in quantum chemistry, where it could accelerate the computation of molecular properties and excited states. This work focuses on hybrid…

Quantum chemistry is a promising application for noisy intermediate-scale quantum (NISQ) devices. However, quantum computers have thus far not succeeded in providing solutions to problems of real scientific significance, with algorithmic…

Quantum Physics · Physics 2023-03-02 Tim Weaving , Alexis Ralli , William M. Kirby , Andrew Tranter , Peter J. Love , Peter V. Coveney

The formation of energy communities is pivotal for advancing decentralized and sustainable energy management. Within this context, Coalition Structure Generation (CSG) emerges as a promising framework. The complexity of CSG grows rapidly…

The Variational Quantum Eigensolver (VQE) is one the most perspective algorithms for simulation of quantum many body physics that have recently attached a lot of attention and believed would be practical for implementation on the near term…

Quantum Physics · Physics 2021-05-03 Belozerova Polina , Shangareev Arthur , Zotov Yuriy , Yung Manhong , lv Dingshun

Recent studies to solve nuclear structure problems using quantum computers rely on a quantum algorithm known as Variational Quantum Eigensolver (VQE). In this study, we calculate the correlation energy in Helium-6 using VQE, with a…

Quantum Physics · Physics 2024-06-25 Ching-Hwa Wee , Meng-Hock Koh , Yung Szen Yap

For many nonlinear physical systems, approximate solutions are pursued by conventional perturbation theory in powers of the non-linear terms. Unfortunately, this often produces divergent asymptotic series, collectively dismissed by Abel as…

Mathematical Physics · Physics 2018-09-26 Benjamin Remez , Moshe Goldstein

Quantum computing has attracted considerable attention in recent years because it promises speed-ups that conventional supercomputers cannot offer, at least for some applications. Though existing quantum computers are, in most cases, still…

Geophysics · Physics 2024-05-08 Malte Schade , Cyrill Boesch , Vaclav Hapla , Andreas Fichtner

Molecule-optimized basis sets, based on approximate natural orbitals, are developed for accelerating the convergence of quantum calculations with strongly correlated (multi-referenced) electrons. We use a low-cost approximate solution of…

Chemical Physics · Physics 2014-02-12 Gergely Gidofalvi , David A. Mazziotti

Variational Quantum Eigensolver (VQE) provides a lucrative platform to determine molecular energetics in near-term quantum devices. While the VQE is traditionally tailored to determine the ground state wavefunction with the underlying…

Quantum Physics · Physics 2023-08-22 Dibyendu Mondal , Rahul Maitra

The still-maturing noisy intermediate-scale quantum (NISQ) technology faces strict limitations on the algorithms that can be implemented efficiently. In quantum chemistry, the variational quantum eigensolver (VQE) algorithm has become…

Quantum Physics · Physics 2021-06-29 Daniel Claudino , Bo Peng , Nicholas P. Bauman , Karol Kowalski , Travis S. Humble

The time-dependent Schr\"odinger equation (TDSE) in real space is fundamental to understanding the dynamics of many-electron quantum systems, with applications ranging from quantum chemistry to condensed matter physics and materials…

Quantum Physics · Physics 2026-03-31 Enze Hou , Yuzhi Liu , Linxuan Zhang , Difa Ye , Lei Wang , Han Wang

The social worker scheduling problem is a class of combinatorial optimization problems that combines scheduling with routing issues. These types of problems with classical computing can only be solved, in the best of cases, in an…

Variational quantum algorithms exploit the features of superposition and entanglement to optimize a cost function efficiently by manipulating the quantum states. They are suitable for noisy intermediate-scale quantum (NISQ) computers that…

Quantum Physics · Physics 2023-08-29 Yunya Liu , Jiakun Liu , Jordan R. Raney , Pai Wang

Variational Quantum algorithms, especially Quantum Approximate Optimization and Variational Quantum Eigensolver (VQE) have established their potential to provide computational advantage in the realm of combinatorial optimization. However,…

Quantum Physics · Physics 2023-07-11 Dheeraj Peddireddy , Utkarsh Priyam , Vaneet Aggarwal
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