Ground State Energy of He molecule Using a Four-Qubit Photonic Processor with the Variational Quantum Eigensolver

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Hauptverfasser: Ghavami, Badie, Mirmasoudi, Forouzan
Format: Preprint
Veröffentlicht: 2025
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author Ghavami, Badie
Mirmasoudi, Forouzan
author_facet Ghavami, Badie
Mirmasoudi, Forouzan
contents To understand the properties and interactions of materials, and determining the ground state energies is one of the important challenges in quantum chemistry, materials science, and quantum mechanics, where quantum computing can play an important role for studying the properties of materials. In this study, we have explored the quantum processor application to compute the He molecule ground state energy which utilizes the Variational Quantum Eigensolver (VQE) algorithm. In here, we have implemented VQE on a state-of-the-art quantum processor, optimizing a parameterized quantum circuit to minimize the energy expectation value of the He molecule's Hamiltonian on the four qubits processor. The obtained results of this work show a significant improvement in accuracy compared to classical computational methods, such as Hartree-Fock and density functional theory, which demonstrate the compute potential of quantum algorithms in quantum many-body problems. Thus, these results demonstrate the advantages of quantum computing in achieving high accuracy in simulations of molecular and material properties, and pave the way for future applications in more complex systems. This work highlights the potential of quantum processors in the fields of quantum chemistry, computational physics, and data science.
format Preprint
id arxiv_https___arxiv_org_abs_2504_07568
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Ground State Energy of He molecule Using a Four-Qubit Photonic Processor with the Variational Quantum Eigensolver
Ghavami, Badie
Mirmasoudi, Forouzan
Quantum Physics
Mesoscale and Nanoscale Physics
To understand the properties and interactions of materials, and determining the ground state energies is one of the important challenges in quantum chemistry, materials science, and quantum mechanics, where quantum computing can play an important role for studying the properties of materials. In this study, we have explored the quantum processor application to compute the He molecule ground state energy which utilizes the Variational Quantum Eigensolver (VQE) algorithm. In here, we have implemented VQE on a state-of-the-art quantum processor, optimizing a parameterized quantum circuit to minimize the energy expectation value of the He molecule's Hamiltonian on the four qubits processor. The obtained results of this work show a significant improvement in accuracy compared to classical computational methods, such as Hartree-Fock and density functional theory, which demonstrate the compute potential of quantum algorithms in quantum many-body problems. Thus, these results demonstrate the advantages of quantum computing in achieving high accuracy in simulations of molecular and material properties, and pave the way for future applications in more complex systems. This work highlights the potential of quantum processors in the fields of quantum chemistry, computational physics, and data science.
title Ground State Energy of He molecule Using a Four-Qubit Photonic Processor with the Variational Quantum Eigensolver
topic Quantum Physics
Mesoscale and Nanoscale Physics
url https://arxiv.org/abs/2504.07568