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Variational quantum algorithms (VQA) are considered as some of the most promising methods to determine the properties of complex strongly correlated quantum many-body systems, especially from the perspective of devices available in the near…

Quantum Physics · Physics 2022-12-07 Saad Yalouz , Bruno Senjean , Filippo Miatto , Vedran Dunjko

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

The opportunities afforded by near-term quantum computers to calculate the ground-state properties of small molecules depend on the structure of the computational ansatz as well as the errors induced by device noise. Here we investigate the…

Hardware-efficient empirical variational ans\"atze for Variational Quantum Eigensolver simulations of Quantum Chemistry suffer from the lack of a direct connection to classical Quantum Chemistry methods. In the present work, we propose a…

Quantum Physics · Physics 2025-09-03 Davide Materia , Leonardo Ratini , Celestino Angeli , Leonardo Guidoni

Variational quantum algorithms (VQAs) have emerged in recent years as a promise to obtain quantum advantage. These task-oriented algorithms work in a hybrid loop combining a quantum processor and classical optimization. Using a specific…

Variational algorithms for strongly correlated chemical and materials systems are one of the most promising applications of near-term quantum computers. We present an extension to the variational quantum eigensolver that approximates the…

Quantum Physics · Physics 2020-08-26 William J. Huggins , Joonho Lee , Unpil Baek , Bryan O'Gorman , K. Birgitta Whaley

Estimating the eigenstate properties of quantum systems is a long-standing, challenging problem for both classical and quantum computing. Existing universal quantum algorithms typically rely on ideal and efficient query models (e.g. time…

Quantum Physics · Physics 2026-01-21 Jinzhao Sun , Pei Zeng , Tom Gur , M. S. Kim

Most non-relativistic interacting quantum many-body systems, such as atomic and molecular ensembles or materials, are naturally described in terms of continuous-space Hamiltonians. The simulation of their ground-state properties on digital…

Quantum Physics · Physics 2024-09-11 Friederike Metz , Gabriel Pescia , Giuseppe Carleo

We consider the task of approximating the ground state energy of two-local quantum Hamiltonians on bounded-degree graphs. Most existing algorithms optimize the energy over the set of product states. Here we describe a family of shallow…

Quantum Physics · Physics 2022-01-05 Anurag Anshu , David Gosset , Karen J. Morenz Korol , Mehdi Soleimanifar

The Fermi-Hubbard model is of fundamental importance in condensed-matter physics, yet is extremely challenging to solve numerically. Finding the ground state of the Hubbard model using variational methods has been predicted to be one of the…

Quantum Physics · Physics 2021-01-04 Chris Cade , Lana Mineh , Ashley Montanaro , Stasja Stanisic

We study a hardware-efficient variational quantum algorithm ansatz tailored for the trapped-ion quantum simulator, HEA-TI. We leverage programmable single-qubit rotations and global spin-spin interactions among all ions, reducing the…

Quantum Physics · Physics 2024-07-04 J. -Z. Zhuang , Y. -K. Wu , L. -M. Duan

We develop a heuristic graph coloring approximation algorithm that uses the D-Wave 2X as an independent set sampler and evaluate its performance against a fully classical implementation. A randomly generated set of small but hard graph…

Quantum Physics · Physics 2020-12-09 Julia Kwok , Kristen Pudenz

The variational quantum eigensolver is a prominent hybrid quantum-classical algorithm expected to impact near-term quantum devices. They are usually based on a circuit ansatz consisting of parameterized single-qubit gates and fixed…

Quantum Physics · Physics 2022-10-13 S. E. Rasmussen , N. T. Zinner

Utilizing quantum computer to investigate quantum chemistry is an important research field nowadays. In addition to the ground-state problems that have been widely studied, the determination of excited-states plays a crucial role in the…

We propose a quantum algorithm, inspired by ADAPT-VQE, to variationally prepare the ground state of a quantum Hamiltonian, with the desirable property that if it fails to find the ground state, it still yields a physically meaningful…

Quantum Physics · Physics 2025-05-16 Shuchen Zhu , Yu Tong

In the context of Variational Quantum Algorithms (VQAs), selecting an appropriate ansatz is crucial for efficient problem-solving. Hamiltonian expressibility has been introduced as a metric to quantify a circuit's ability to uniformly…

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

The ability of quantum computers to overcome the exponential memory scaling of many-body problems is expected to transform quantum chemistry. Quantum algorithms require accurate representations of electronic states on a quantum device, but…

Chemical Physics · Physics 2024-04-26 Hugh G. A. Burton

In this work, we propose the first quantum Ans\"atze for the statistical relational learning on knowledge graphs using parametric quantum circuits. We introduce two types of variational quantum circuits for knowledge graph embedding.…

Quantum Physics · Physics 2019-03-05 Yunpu Ma , Volker Tresp , Liming Zhao , Yuyi Wang

Preparing the ground state of a Hamiltonian is a problem of great significance in physics with deep implications in the field of combinatorial optimization. The adiabatic algorithm is known to return the ground state for sufficiently long…

Quantum Physics · Physics 2023-08-02 Benjamin F. Schiffer , Jordi Tura , J. Ignacio Cirac