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We present a novel quantum algorithm for approximating the ground-state in quantum many-body systems, particularly suited for Noisy Intermediate-Scale Quantum (NISQ) devices. Our approach integrates Variational Quantum Eigensolvers (VQE)…

Quantum Physics · Physics 2024-03-18 Yihao Liu , Min-Quan He , Z. D. Wang

The wave function Ansatze are crucial in the context of the Variational Quantum Eigensolver (VQE). In the Noisy Intermediate-Scale Quantum era, the design of low-depth wave function Ansatze is of great importance for executing quantum…

Quantum Physics · Physics 2024-06-18 Zhijie Sun , Jie Liu , Zhenyu Li , Jinlong Yang

Variational quantum algorithms aim at harnessing the power of noisy intermediate-scale quantum computers, by using a classical optimizer to train a parameterized quantum circuit to solve tractable quantum problems. The variational quantum…

Solving for molecular excited states remains one of the key challenges of modern quantum chemistry. Traditional methods are constrained by existing computational capabilities, limiting the complexity of the molecules that can be studied or…

Quantum Physics · Physics 2021-04-13 Jules Tilly , Glenn Jones , Hongxiang Chen , Leonard Wossnig , Edward Grant

Quantum simulators enable studies of many-body phenomena which are intractable with classical hardware. Spins in devices based on semiconductor quantum dots promise precise electrical control and scalability advantages, but accessing…

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

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

A number of tools have been developed to detect topological phase transitions in strongly correlated quantum systems. They apply under different conditions, but do not cover the full range of many-body models. It is hence desirable to…

Strongly Correlated Electrons · Physics 2021-01-05 Sourav Manna , N. S. Srivatsa , Julia Wildeboer , Anne E. B. Nielsen

Variational quantum algorithms (VQAs) are increasingly being applied in simulations of strongly-bound (covalently bonded) systems using full molecular orbital basis representations. The application of quantum computers to the weakly-bound…

Advances in quantum simulator technology is increasingly required because research on quantum algorithms is becoming more sophisticated and complex. State vector simulation utilizes CPU and memory resources in computing nodes exponentially…

Quantum Physics · Physics 2024-09-04 Mikio Morita , Yoshinori Tomita , Junpei Koyama , Koichi Kimura

Given the notably increasing complexity of mathematical models to study realistic systems and their coupling to their environment that constrains their dynamics, both analytical approaches and numerical methods that build on these models,…

Quantum Physics · Physics 2019-11-11 I. Luchnikov , A. Ryzhov , P. -J. C. Stas , S. N. Filippov , H. Ouerdane

Periodically driven quantum systems exhibit many fascinating phenomena absent in equilibrium systems, but their simulation is more challenging than that of static systems. Consequently, quantum simulation of these systems offers greater…

Quantum Physics · Physics 2025-06-03 Abhishek Kumar , Karunya Shirali , Nicholas J. Mayhall , Sophia E. Economou , Edwin Barnes

Quantum computing technology has the potential to revolutionize the simulation of materials and molecules in the near future. A primary challenge in achieving near-term quantum advantage is effectively mitigating the noise effects inherent…

Quantum Physics · Physics 2024-01-17 Tao Jiang , John Rogers , Marius S. Frank , Ove Christiansen , Yong-Xin Yao , Nicola Lanatà

The Variational Quantum Eigensolver (VQE) is a hybrid quantum-classical algorithm for computing ground state energies of molecular systems. We implement VQE to calculate the potential energy surface of the hydrogen molecule (H$_2$) across…

Quantum Physics · Physics 2026-01-16 Rylan Malarchick , Ashton Steed

The Quantum Phase Difference Estimation (QPDE) algorithm, as an extension of the Quantum Phase Estimation (QPE), is a quantum algorithm designed to compute the differences of two eigenvalues of a unitary operator by exploiting the quantum…

Quantum Physics · Physics 2026-04-14 Boni Paul , Sudhindu Bikash Mandal , Kenji Sugisaki , B. P. Das

Reflecting the increasing interest in quantum computing, the variational quantum eigensolver (VQE) has attracted much attentions as a possible application of near-term quantum computers. Although the VQE has often been applied to quantum…

Quantum Physics · Physics 2022-12-07 Yasutaka Nishida , Fumihiko Aiga

Preparing the Gibbs state of an interacting quantum many-body system on noisy intermediate-scale quantum (NISQ) devices is a crucial task for exploring the thermodynamic properties in the quantum regime. It encompasses understanding…

Quantum Physics · Physics 2025-01-08 Mirko Consiglio

Quantum computing is viewed as a promising technology because of its potential for polynomial growth in complexity, in contrast to the exponential growth observed in its classical counterparts. In the current Noisy Intermediate-Scale…

Chemical Physics · Physics 2026-01-13 Maitreyee Sarkar , Lisa Roy , Akash Gutal , Atul Kumar , Manikandan Paranjothy

We study the emergence of quasicrystal configurations produced purely by quantum fluctuations in the ground-state phase diagram of interacting bosonic systems. By using a variational mean-field approach, we determine the relevant features…

Quantum Gases · Physics 2025-02-25 A. Mendoza-Coto , R. Turcati , V. Zampronio , R. Díaz-Méndez , T. Macrì , F. Cinti

We present the meta-VQE, an algorithm capable to learn the ground state energy profile of a parametrized Hamiltonian. By training the meta-VQE with a few data points, it delivers an initial circuit parametrization that can be used to…

Quantum Physics · Physics 2021-06-01 Alba Cervera-Lierta , Jakob S. Kottmann , Alán Aspuru-Guzik
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