HYBRID CLASSICAL–QUANTUM COMPUTING FRAMEWORK USING QISKIT AND PYSCF FOR MOLECULAR ELECTRONIC STRUCTURE CALCULATIONS
Keywords:
Hybrid Quantum Computing, Quantum Chemistry, Molecular Electronic Structure, Variational Quantum Eigensolver (VQE), PySCF, Qiskit, Qiskit Nature, Hartree–Fock Method, Jordan–Wigner Transformation, Bravyi–Kitaev Mapping, NISQ Computing, Electronic Hamiltonian, Quantum Algorithms, Computational ChemistryAbstract
Quantum computing has emerged as a transformative paradigmfor solving computationally intensive problems in chemistry, particularly
molecular electronic structure calculations that are intractable forconventional classical computers. Despite the rapid development of quantum algorithms, the limitations of current noisy
References
1. Aspuru-Guzik, A., Dutoi, A. D., Love, P. J., & Head-Gordon, M. (2005). Simulated quantum computation of molecular energies. Science,
309(5741), 1704–1707. https://doi.org/10.1126/science.1113479
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Published
2023-03-15
How to Cite
Dr. Sudhanshu Shekhar. (2023). HYBRID CLASSICAL–QUANTUM COMPUTING FRAMEWORK USING QISKIT AND PYSCF FOR MOLECULAR ELECTRONIC STRUCTURE CALCULATIONS . Journal of Computational Analysis and Applications (JoCAAA), 31(3), 1019–1032. Retrieved from https://eudoxuspress.com/index.php/pub/article/view/5759
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