Verfahren zum Finden eines Optimalen Quantenzustands unter Minimierung der Energie eines Hamiltonia-Operators mit einem Quantenprozessor unter Verwendung eines Vqe-Verfahrens, Verfahren zur Bestimmung eines Quantenzustands einer Chemischen Verbindung und Verfahren zur Bestimmung Physikalischer Quanteneigenschaften von Materialien

Details

Veröffentlichungs-Nr.

EP4102416

Aktenzeichen

EP21305788

Anmeldetag

9. Juni 2021

Veröffentlichung

21. Mai 2025

Erteilung

21. Mai 2025

Rechtsraum

EP

IPC

G06N10/60G16C10/00

Abstract

A method for finding an optimal quantum state minimizing the energy of a Hamiltonian operator with a quantum processor comprising a quantum circuit for producing trial quantum states for the Hamiltonian operator and parametric quantum gates with associated parameters, by using a VQE method, the method comprising: providing the Hamiltonian operator in an orbital basis and iteratively, until a predefined stopping criterion is satisfied: - applying the VQE method to find optimized values for the parameters that yield an intermediate optimal quantum state which minimizes the energy of the Hamiltonian operator, - computing a one particle reduced density matrix (1-RDM) based on the intermediate optimal quantum state, - determining an updated orbital basis in which the 1-RDM is diagonal, and an associated transformation matrix, - modifying the Hamiltonian operator with the transformation matrix, returning, as the optimal quantum state the intermediate optimal quantum state that minimizes the most the energy.

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Firma

Bull SAS

Land

🇫🇷 Frankreich

Fachgebiete