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

Claim 14:
15. A computer program product for facilitating precision-preserving qubit reduction based on spatial symmetries of fermionic systems, the computer program product comprising a non-transitory computer readable medium having program instructions embodied therewith, the program instructions executable by a processing component to cause the processing component to:
obtain 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;
identify a spatial point group symmetry operation associated with the molecule;
generate a unitary matrix that corresponds to the spatial point group symmetry operation;
generate a Hermitian matrix based on the unitary matrix;
generate a diagonalized second quantization representation of the spatial point group symmetry operation based on the Hermitian matrix;
convert the diagonalized second quantization representation into a single Pauli string; and
taper 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
simulate, using the tapered computational quantum algorithm with the second number of qubits of the quantum device, the molecule.