IP Library › Granted Patent US 12,254,964
Granted Patent B2
US 12,254,964 · App. 17/292,086 · Granted Mar 18, 2025

Quantum circuit based system configured to model physical or chemical systems

Inventors: Vid Stojevic (London, GB); Matthias Bal (London, GB); Andrew Green (London, GB)
Assignee: KUANO LTD.
G16C20/70G06N5/01G06N10/00
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Quick Facts
Patent No.
US 12,254,964
App. No.
17/292,086
Granted
Mar 18, 2025
Kind
B2
Abstract

There is provided a quantum circuit based system configured to model infinite-size systems, in which one or more quantum circuits are configured as an infinite tensor network representation of quantum states of effectively infinite physical or chemical systems.

Claims (21)

1. A quantum circuit based system configured to model drug-like molecules, in which one or more quantum circuits are configured as an infinite tensor network representation of quantum states of the drug-like molecules;

in which an infinite tensor network is used to represent a repeating crystal structure of the drug-like molecules with a naturally repeating structure;

and in which the quantum circuit based system is configured to determine or predict chemical properties for candidate drug-like molecules.

2. The quantum circuit based system of claim 1 that is implemented using a machine learning system.

3. The quantum circuit based system of claim 2 , in which the machine learning system is a quantum machine learning circuit based on the infinite tensor network, obtained by embedding infinite tensors in networks into unitary gates.

4. The quantum circuit based system of claim 1 , implemented using quantum computers with quantum circuits configured as infinite tensor networks.

5. The quantum circuit based system of claim 4 , in which the quantum circuits are configured as an infinite tensor network representation of a classical system with the naturally repeating structure.

6. The quantum circuit based system of claim 1 , in which a quantum circuit or a classical tensor network simulation is used for calculating an environment of the infinite tensor network.

7. The quantum circuit based system of claim 6 , in which a quantum algorithm is used to predict a property, such as energy density or an expectation value of an operator, of the drug-like molecules.

8. The quantum circuit based system of claim 6 , in which a quantum algorithm is used to optimise a cost function or a machine learning inspired cost function that has been trained on a periodic system.

9. The quantum circuit based system of claim 1 , in which a property of the infinite tensor network including an environment is computed and tuned by sampling an output of a quantum circuit configured as the infinite tensor network.

10. The quantum circuit based system of claim 1 , configured to predict or determine one or more of: energy transfer, organic LED and photovoltaic material properties, light absorption properties, melting point, and permeability associated with the drug-like molecules.

11. The quantum circuit based system of claim 1 , configured to calculate energy densities or other properties of the drug-like molecules.

12. The quantum circuit based system of claim 1 , configured to predict possible crystal structures of a solid and associated probabilities.

13. The quantum circuit based system of claim 1 , configured to predict quantities based on crystal structures associated with the drug-like molecules.

14. The quantum circuit based system of claim 1 , configured to simulate and calculate energies of excited states of the drug-like molecules.

15. A drug-like molecule identified, selected or optimized using the quantum circuit based system of claim 1 .

16. A material or other substance identified, selected or optimized using the quantum circuit based system of claim 1 .

17. A computer implemented method of modeling drug-like molecules, including a step of configuring one or more quantum circuits as an infinite tensor network representation of quantum states of the drug like molecules;

in which an infinite tensor network is used to represent a repeating crystal structure of the drug-like molecules with a naturally repeating structure;

and in which a quantum circuit based system is configured to determine or predict chemical properties for candidate drug-like molecules.

Assignments (1)
ASSIGNMENT OF ASSIGNOR'S INTEREST Recorded Feb 6, 2025
From: STOJEVIC, VID; BAL, MATTHIAS; GREEN, ANDREW
To: KUANO LTD.
Reel/Frame 070127/0352 →
Priority Claims (2)
GB 1818154 · Nov 7, 2018 · national
GB 1819279 · Nov 27, 2018 · national
Continuity (1)
Related Publication 20210398621A1 · Dec 23, 2021
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