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The Variational Quantum Eigensolver (VQE) is a hybrid quantum-classical algorithm for quantum simulation that can be run on near-term quantum hardware. A challenge in VQE -- as well as any other heuristic algorithm for finding ground states…

The variational quantum eigensolver (VQE) is one of the most appealing quantum algorithms to simulate electronic structure properties of molecules on near-term noisy intermediate-scale quantum devices. In this work, we generalize the VQE…

Quantum Physics · Physics 2022-06-09 Jie Liu , Lingyun Wan , Zhenyu Li , Jinlong Yang

By design, the variational quantum eigensolver (VQE) strives to recover the lowest-energy eigenvalue of a given Hamiltonian by preparing quantum states guided by the variational principle. In practice, the prepared quantum state is…

Quantum Physics · Physics 2021-06-29 Daniel Claudino , Jerimiah Wright , Alexander J. McCaskey , Travis S. Humble

By exploiting the invariance of the molecular Hamiltonian by a unitary transformation of the orbitals it is possible to significantly shorter the depth of the variational circuit in the Variational Quantum Eigensolver (VQE) algorithm by…

Quantum Physics · Physics 2025-09-03 Leonardo Ratini , Chiara Capecci , Leonardo Guidoni

Variational quantum algorithms (VQAs) incorporate hybrid quantum-classical computation aimed at harnessing the power of noisy intermediate-scale quantum (NISQ) computers to solve challenging computational problems. In this thesis, three…

Quantum Physics · Physics 2025-02-18 Mirko Consiglio

Current universal quantum computers have a limited number of noisy qubits. Because of this, it is difficult to use them to solve large-scale complex optimization problems. In this paper we tackle this issue by proposing a quantum…

Quantum Physics · Physics 2023-06-30 Pablo Bermejo , Roman Orus

Variational quantum algorithms are promising candidates for delivering practical quantum advantage on noisy intermediate-scale quantum (NISQ) hardware. However, optimizing the noisy cost functions associated with these algorithms is…

Quantum Physics · Physics 2024-03-06 Andy C. Y. Li , Imanol Hernandez

The preparation of an equilibrium thermal state of a quantum many-body system on noisy intermediate-scale quantum (NISQ) devices is an important task in order to extend the range of applications of quantum computation. Faithful Gibbs state…

Variational quantum algorithms are promising applications of noisy intermediate-scale quantum (NISQ) computers. These algorithms consist of a number of separate prepare-and-measure experiments that estimate terms in a Hamiltonian. The…

Quantum Physics · Physics 2020-06-25 Andrew Zhao , Andrew Tranter , William M. Kirby , Shu Fay Ung , Akimasa Miyake , Peter Love

The variational quantum eigensolver (VQE) and its variants, which is a method for finding eigenstates and eigenenergies of a given Hamiltonian, are appealing applications of near-term quantum computers. Although the eigenenergies are…

Quantum Physics · Physics 2020-02-12 Kosuke Mitarai , Yuya O. Nakagawa , Wataru Mizukami

We propose a hybrid variational quantum algorithm that has variational parameters used by both the quantum circuit and the subsequent classical optimization. Similar to the Variational Quantum Eigensolver (VQE), this algorithm applies a…

Quantum Physics · Physics 2025-12-05 John P. T. Stenger , C. Stephen Hellberg , Daniel Gunlycke

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

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

Extracting eigenvalues and eigenvectors of exponentially large matrices will be an important application of near-term quantum computers. The Variational Quantum Eigensolver (VQE) treats the case when the matrix is a Hamiltonian. Here, we…

Quantum Physics · Physics 2022-09-28 M. Cerezo , Kunal Sharma , Andrew Arrasmith , Patrick J. Coles

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

The variational quantum eigensolver (VQE) is a hybrid quantum-classical algorithm used to find the ground state of a Hamiltonian using variational methods. In the context of this Lattice symposium, the procedure can be used to study lattice…

Quantum Physics · Physics 2021-12-02 Giovanni Iannelli , Karl Jansen

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

Variational Quantum Eigensolver (VQE) is a promising algorithm for near-term quantum machines. It can be used to estimate the ground state energy of a molecule by performing separate measurements of $O(N^4)$ terms. Several recent papers…

Quantum Physics · Physics 2019-09-02 Pranav Gokhale , Frederic T. Chong

Variational approaches, such as variational Monte Carlo (VMC) or the variational quantum eigensolver (VQE), are powerful techniques to tackle the ground-state many-electron problem. Often, the family of variational states is not invariant…

Quantum Physics · Physics 2023-10-10 Javier Robledo Moreno , Jeffrey Cohn , Dries Sels , Mario Motta

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
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