{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Belaloui NE"],"funding":["Directorate-General for Scientific Research and Technological Development","African Academy of Sciences","Minist?re de l&apos;Enseignement Sup?rieur et de la Recherche Scientifique"],"pagination":["6777-6792"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC12288014"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["21(14)"],"pubmed_abstract":["We investigate the variational quantum eigensolver (VQE) for estimating the ground-state energy of the BeH<sub>2</sub> molecule, emphasizing practical implementation and performance on current quantum hardware. Our research presents a comparative study of HEA and UCCSD ansätze on noiseless and noisy simulations and implements VQE on recent IBM quantum computer noise models and a real quantum computer, IBM Fez, providing a fully functional code employing Qiskit 1.2. Our experiments confirm UCCSD's reliability in ideal conditions, while the HEA demonstrates greater robustness to hardware noise, achieving chemical accuracy on state-vector simulation (SVS). The results reveal that achieving ground-state energy within chemical accuracy is feasible without error mitigation during VQE convergence"],"journal":["Journal of chemical theory and computation"],"pubmed_title":["Ground-State Energy Estimation on Current Quantum Hardware through the Variational Quantum Eigensolver: A Practical Study."],"pmcid":["PMC12288014"],"funding_grant_id":["DCI-PANAF/2020/420-028"],"pubmed_authors":["Benslama A","Belaloui NE","Bernal Neira DE","Khamadja AR","Tounsi A","Louamri MM","Rouabah MT"],"additional_accession":[]},"is_claimable":false,"name":"Ground-State Energy Estimation on Current Quantum Hardware through the Variational Quantum Eigensolver: A Practical Study.","description":"We investigate the variational quantum eigensolver (VQE) for estimating the ground-state energy of the BeH<sub>2</sub> molecule, emphasizing practical implementation and performance on current quantum hardware. Our research presents a comparative study of HEA and UCCSD ansätze on noiseless and noisy simulations and implements VQE on recent IBM quantum computer noise models and a real quantum computer, IBM Fez, providing a fully functional code employing Qiskit 1.2. Our experiments confirm UCCSD's reliability in ideal conditions, while the HEA demonstrates greater robustness to hardware noise, achieving chemical accuracy on state-vector simulation (SVS). The results reveal that achieving ground-state energy within chemical accuracy is feasible without error mitigation during VQE convergence","dates":{"release":"2025-01-01T00:00:00Z","publication":"2025 Jul","modification":"2026-03-31T10:47:40.832Z","creation":"2025-08-30T03:05:39.297Z"},"accession":"S-EPMC12288014","cross_references":{"pubmed":["40581860"],"doi":["10.1021/acs.jctc.4c01657"]}}