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変分量子固有値ソルバー×密度汎関数理論×
分野量子コンピューティング量子コンピューティング
系統Machine learningMachine learning
提唱年20141965
提唱者Alberto PeruzzoWalter Kohn
種類Hybrid quantum-classical algorithmElectronic structure method
原典Peruzzo, A., McClean, J., Shadbolt, P., et al. (2014). A variational eigenvalue solver on a photonic quantum processor. Nature Communications, 5, 4213. DOI ↗Kohn, W., Sham, L. J. (1965). Self-consistent equations including exchange and correlation effects. Physical Review, 140, A1133–A1138. DOI ↗
別名VQE, hybrid quantum-classicalDFT, Kohn-Sham equations
関連44
概要The Variational Quantum Eigensolver (VQE) is a hybrid quantum-classical algorithm designed to find the lowest eigenvalue (ground state energy) of a quantum Hamiltonian. Introduced by Peruzzo et al. in 2014, it exploits the variational principle to combine the power of quantum circuits with classical optimization to solve chemistry and materials science problems on near-term quantum devices.Density Functional Theory (DFT) is a computational method for determining the properties of materials and molecules by modeling the ground state electron density. Developed by Walter Kohn and Lu Jeu Sham in the 1960s, DFT reduces the complexity of quantum chemistry from tracking individual electron coordinates to optimizing the total electron density, enabling efficient simulations of large molecular and condensed-matter systems.
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ScholarGate手法を比較: Variational Quantum Eigensolver · Density Functional Theory. 2026-06-15に以下より取得 https://scholargate.app/ja/compare