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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

Determining low-energy eigenstates in electronic many-body quantum systems is a key challenge in computational chemistry and condensed-matter physics. Hybrid quantum-classical approaches, such as the Variational Quantum Eigensolver and…

Quantum Physics · Physics 2025-10-27 Hamzat A. Akande , Alexandre Perrin , Bruno Senjean , Matthieu Saubanere

We discuss here some aspects related to the symmetries of a quantum many-body problem when trying to treat it on a quantum computer. Several features related to symmetry conservation, symmetry breaking, and possible symmetry restoration are…

Quantum Physics · Physics 2023-01-25 Denis Lacroix , Edgar Andres Ruiz Guzman , Pooja Siwach

The efficient simulation of complex quantum systems remains a central challenge due to the exponential growth of Hilbert space with system size. Tensor network methods have long been established as powerful approximation schemes, and their…

Computational Physics · Physics 2026-03-16 Min Chen , Minzhao Liu , Changhun Oh , Liang Jiang , Yuri Alexeev , Junyu Liu

Symmetry is fundamental in the description and simulation of quantum systems. Leveraging symmetries in classical simulations of many-body quantum systems can results in significant overhead due to the exponentially growing size of some…

Using quantum devices supported by classical computational resources is a promising approach to quantum-enabled computation. One example of such a hybrid quantum-classical approach is the variational quantum eigensolver (VQE) built to…

Quantum Physics · Physics 2017-04-12 Jarrod R. McClean , Mollie E. Schwartz , Jonathan Carter , Wibe A. de Jong

Hamiltonian systems of ordinary and partial differential equations are fundamental mathematical models spanning virtually all physical scales. A critical property for the robustness and stability of computational methods in such systems is…

Quantum Physics · Physics 2025-02-25 Hsuan-Cheng Wu , Xiantao Li

In the age of noisy quantum processors, the exploitation of quantum symmetries can be quite beneficial in the efficient preparation of trial states, an important part of the variational quantum eigensolver algorithm. The benefits include…

Quantum Physics · Physics 2023-08-21 Babatunde M. Ayeni

Variational hybrid quantum-classical optimization represents one of the most promising avenue to show the advantage of nowadays noisy intermediate-scale quantum computers in solving hard problems, such as finding the minimum-energy state of…

Quantum Physics · Physics 2020-11-18 Laura Gentini , Alessandro Cuccoli , Stefano Pirandola , Paola Verrucchi , Leonardo Banchi

Variational quantum eigensolvers are touted as a near-term algorithm capable of impacting many applications. However, the potential has not yet been realized, with few claims of quantum advantage and high resource estimates, especially due…

The recent literature on near-term applications for quantum computers contains several examples of the applications of hybrid quantum/classical variational approaches. This methodology can be applied to a variety of optimization problems,…

Quantum Physics · Physics 2019-01-23 Giacomo Nannicini

Variational hybrid quantum-classical algorithms are some of the most promising workloads for near-term quantum computers without error correction. The aim of these variational algorithms is to guide the quantum system to a target state that…

Quantum Physics · Physics 2021-03-18 Shavindra P. Premaratne , A. Y. Matsuura

We introduce a systematic study of "symmetric quantum circuits", a new restricted model of quantum computation that preserves the symmetries of the problems it solves. This model is well-adapted for studying the role of symmetry in quantum…

Quantum Physics · Physics 2025-10-07 Davi Castro-Silva , Tom Gur , Sergii Strelchuk

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 introduce an optimisation method for variational quantum algorithms and experimentally demonstrate a 100-fold improvement in efficiency compared to naive implementations. The effectiveness of our approach is shown by obtaining…

Conservation of symmetries plays a crucial role in both classical and quantum simulations of many-body systems, enabling the tracking of states with specific symmetry properties and leading to substantial reductions in the number of…

Quantum Physics · Physics 2025-11-18 Ilias Magoulas , Francesco A. Evangelista

In electronic structure theory, variational methods offer a valuable paradigm for approximating electronic ground states. However, for historical reasons, this principle is mostly restricted to model chemistries in pre-defined fixed basis…

Quantum Physics · Physics 2025-11-17 Fabian Langkabel , Stefan Knecht , Jakob S. Kottmann

Variational quantum eigensolver~(VQE) typically optimizes variational parameters in a quantum circuit to prepare eigenstates for a quantum system. Its applications to many problems may involve a group of Hamiltonians, e.g., Hamiltonian of a…

Quantum Physics · Physics 2021-01-19 Zhan-Hao Yuan , Tao Yin , Dan-Bo Zhang

We propose a variational scheme to represent composite quantum systems using multiple parameterized functions of varying accuracies on both classical and quantum hardware. The approach follows the variational principle over the entire…

Quantum Physics · Physics 2024-06-21 Stefano Barison , Filippo Vicentini , Giuseppe Carleo

We propose an extended version of the symmetry-adapted variational-quantum-eigensolver (VQE) and apply it to a two-component Fermi-Hubbard model on a bipartite lattice. In the extended symmetry-adapted VQE method, the Rayleigh quotient for…

Quantum Physics · Physics 2022-03-11 Kazuhiro Seki , Seiji Yunoki