Classical optimizer for quantum chemistry circuit synthesis

1. A computer-readable medium storing executable instructions for optimizing a quantum circuit that, upon execution, cause a digital computing processor to perform functions comprising:

receiving one or more parameters for simulation of evolution of at least one quantum state of a chemical entity to be simulated;

generating a quantum circuit for simulation of evolution of the at least one quantum state of the chemical entity;

performing one or more operations to minimize quantum resources to be used for the generated quantum circuit based on the one or more parameters; and

placing quantum resources among one or more elementary logical units (ELUs) based on any one or more of: frequency of occurrence of the quantum resources in the generated quantum circuit, order of occurrence of the quantum resources in the generated quantum circuit, connectivity parameters between one or more quantum resources, efficiency of gates between specific quantum resources, quality of gates between specific quantum resources or a combination thereof,

wherein optimizing the generated quantum circuit based on the one or more parameters further comprises any one or more of: gate scheduling and parallel processing of quantum computations, and

wherein the gate scheduling and parallel processing of quantum computations is achieved by connecting one or more quantum resources from different extended elementary logical units (EELUs) via optical cross connect to generate at least one entangled ion pair between a pair of EELUs.

2. The computer-readable medium of claim 1 , wherein the chemical entity includes any one or more of: atoms, molecules, ions and subatomic particles, wherein the subatomic particles are free, bound or localized.

3. The computer-readable medium of claim 1 , wherein generating a quantum circuit for simulation of evolution of the at least one quantum state of the chemical entity comprises:

deriving evolution operator for the chemical entity to be utilized for the simulation using a quantum computer, wherein deriving evolution operator for the chemical entity further comprises:

deriving fermionic Hamiltonian for the chemical entity, and

transforming fermionic Hamiltonian to a qubit Hamiltonian using one or more transformation algorithms, wherein the one or more transformation algorithm comprises any one or more of: Jordan-Wigner transformation, Parity transformation and Bravyi-Kitaev transformation.

4. The computer-readable medium of claim 1 , wherein the one or more operations to minimize quantum resources include any one or more of term merging, re-embedding quantum resources and merge-sorting.

5. The computer-readable medium of claim 1 , wherein the one or more parameters for simulation of evolution of at least one quantum state of a chemical entity to be simulated include any one or more of: atomic information for the chemical entity, error tolerance for the quantum circuit, maximum number of gates permitted for the quantum circuit, maximum number of qubits permitted for the quantum circuit, and maximum duration of time allowed for the simulation.

6. The computer-readable medium of claim 1 , wherein the gate scheduling for quantum computations is achieved by connecting one or more quantum resources from different ELUs, wherein the quantum resources are connected by a qubit communication bus including shuttling of the quantum resources.

7. The computer-readable medium of claim 1 , wherein the number of quantum resources in each ELU, the number of ELUs in each EELU and the number of EELUs used in the computations can be dynamically varied over the duration of the computation.

8. The computer-readable medium of claim 1 , wherein the one or more ELUs and the extended EELUs are part of an ion-trap quantum computer.

9. A computer-implemented method for optimizing a quantum circuit comprising:

receiving one or more parameters for simulation of evolution of at least one quantum state of a chemical entity to be simulated;

generating a quantum circuit for simulation of evolution of the at least one quantum state of the chemical entity;

performing one or more operations to minimize quantum resources to be used for the generated quantum circuit based on the one or more parameters; and

mapping quantum resources among one or more elementary logical units (ELUs) based on any one or more of: frequency of occurrence of the quantum resources in the generated quantum circuit, order of occurrence of the quantum resources in the generated quantum circuit, connectivity parameters between one or more quantum resources, efficiency of gates between specific quantum resources, quality of gates between specific quantum resources or a combination thereof,

wherein optimizing the generated quantum circuit based on the one or more parameters further comprises any one or more of: gate scheduling and parallel processing of quantum computations, and

wherein the gate scheduling and parallel processing of quantum computations is achieved by connecting one or more quantum resources from different extended elementary logical units (EELUs) via optical cross connect to generate at least one entangled ion pair between a pair of EELUs.

10. The computer-implemented method of claim 9 , wherein the chemical entity includes any one or more of: atoms, molecules, ions and subatomic particles, wherein the subatomic particles are free, bound or localized.

11. The computer-implemented method of claim 9 , wherein generating a quantum circuit for simulation of evolution of the at least one quantum state of the chemical entity comprises:

deriving evolution operator for the chemical entity to be utilized for the simulation using a quantum computer, wherein deriving evolution operator for the chemical entity further comprises:

deriving fermionic Hamiltonian for the chemical entity, and

transforming fermionic Hamiltonian to a qubit Hamiltonian using one or more transformation algorithms, wherein the one or more transformation algorithm comprises any one or more of: Jordan-Wigner transformation, Parity transformation and Bravyi-Kitaev transformation.

12. The computer-implemented method of claim 9 , wherein the one or more operations to minimize quantum resources include any one or more of term merging, re-embedding quantum resources and merge-sorting.

13. The computer-implemented method of claim 9 , wherein the one or more parameters for minimizing quantum resources to be used for the generated quantum circuit include any one or more of: atomic information for the chemical entity, error tolerance for the quantum circuit, maximum number of gates permitted for the quantum circuit, maximum number of qubits permitted for the quantum circuit, and maximum duration of time allowed for the simulation.

14. The computer-implemented method of claim 9 , wherein the gate scheduling for quantum computations is achieved by connecting one or more quantum resources from different ELUs, wherein the quantum resources are connected by a qubit communication bus including shuttling of the quantum resources.

15. The computer-implemented method of claim 9 , wherein the number of quantum resources in each ELU, the number of ELUs in each EELU and the number of EELUs used in the computations can be varied over the duration of the computation.

16. The computer-implemented method of claim 9 , wherein the one or more ELUs and the extended EELUs are part of an ion-trap quantum computer.

17. A system for optimizing a quantum circuit comprising at least one processor and a memory wherein the memory stores executable instructions for optimizing a quantum circuit that, upon execution by the processor, cause the processor to perform functions comprising:

receiving one or more parameters for simulation of evolution of at least one quantum state of a chemical entity to be simulated;

generating a quantum circuit for simulation of evolution of the at least one quantum state of the chemical entity;

performing one or more operations to minimize quantum resources to be used for the generated quantum circuit based on the one or more parameters; and

placing quantum resources among one or more elementary logical units (ELUs) based on any one or more of: frequency of occurrence of the quantum resources in the generated quantum circuit, order of occurrence of the quantum resources in the generated quantum circuit, connectivity parameters between one or more quantum resources, efficiency of gates between specific quantum resources, quality of gates between specific quantum resources or a combination thereof,

wherein optimizing the generated quantum circuit based on the one or more parameters further comprises any one or more of: gate scheduling and parallel processing of quantum computations, and

wherein the gate scheduling and parallel processing of quantum computations is achieved by connecting one or more quantum resources from different extended elementary logical units (EELUs) via optical cross connect to generate at least one entangled ion pair between a pair of EELUs.

18. The system of claim 17 , wherein the chemical entity includes any one or more of: atoms, molecules, ions and subatomic particles, wherein the subatomic particles are free, bound or localized.

19. The system of claim 17 , wherein generating a quantum circuit for simulation of evolution of the at least one quantum state of the chemical entity comprises:

deriving evolution operator for the chemical entity to be utilized for the simulation using a quantum computer, wherein deriving evolution operator for the chemical entity further comprises:

deriving fermionic Hamiltonian for the chemical entity, and

transforming fermionic Hamiltonian to a qubit Hamiltonian using one or more transformation algorithms, wherein the one or more transformation algorithm comprises any one or more of: Jordan-Wigner transformation, Parity transformation and Bravyi-Kitaev transformation.

20. The system of claim 17 , wherein the one or more operations to minimize quantum resources include any one or more of term merging, re-embedding quantum resources and merge-sorting.

21. The system of claim 17 , wherein the one or more parameters for minimizing quantum resources to be used for the generated quantum circuit include any one or more of: atomic information for the chemical entity, error tolerance for the quantum circuit, maximum number of gates permitted for the quantum circuit, maximum number of qubits permitted for the quantum circuit, and maximum duration of time allowed for the simulation.

22. The system of claim 17 , wherein the gate scheduling for quantum computations is achieved by connecting one or more quantum resources from different ELUs, wherein the quantum resources are connected by a qubit communication bus including shuttling of the quantum resources.

23. The system of claim 17 , wherein the number of quantum resources in each ELU, the number of ELUs in each EELU and the number of EELUs used in the computations can be varied over the duration of the computation.

24. The system of claim 17 , wherein the one or more ELUs and the extended EELUs are part of an ion-trap quantum computer.