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

Claim 0:
1. A system, comprising:
a memory that stores computer-executable components; and
a processor, operably coupled to the memory, that executes the computer-executable components stored in the memory, wherein the processor;
obtains 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;
identifies a spatial point group symmetry operation associated with the molecule;
generates a unitary matrix that corresponds to the spatial point group symmetry operation;
generates a Hermitian matrix based on the unitary matrix;
generates a diagonalized second quantization representation of the spatial point group symmetry operation based on the Hermitian matrix converts the diagonalized second quantization representation into a single Pauli string;
tapers 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
simulates, using the tapered computational quantum algorithm with the second number of qubits of the quantum device, the molecule.