Patent ID: 11894107
Assignee: INTERNATIONAL BUSINESS MACHINES CORPORATION
Field: Computer technology (Electrical engineering)
Classification: CPC G | IPC G

Claim 7:
8. A computer-implemented method, comprising:
obtaining, by a system operatively coupled to a processor, a computational quantum algorithm that models properties of the molecule, wherein the computational quantum algorithm is employable for simulating the molecule at a defined precision using a first number of qubits of a quantum device;
identifying, by the system, a spatial point group symmetry operation associated with the molecule;
generating, by the system, a unitary matrix that corresponds to the spatial point group symmetry operation;
generating, by the system, a Hermitian matrix based on the unitary matrix;
generating, by a system operatively coupled to a processor, a diagonalized second quantization representation of the spatial point group symmetry operation based on the Hermitian matrix;
converting, by the system, the diagonalized second quantization representation into a single Pauli string; and
tapering off, by the system, the computational quantum algorithm based on the single Pauli string, wherein the tapered computational quantum algorithm is employable for simulating the molecule at the defined precision using a second number of qubits of the quantum device that is less than the first number of qubits; and
simulating, by the system, using the tapered computational quantum algorithm with the second number of qubits of the quantum device, the molecule.