US 11,894,107 B2 · Precision-preserving qubit reduction based on spatial symmetries in fermionic systems

Abstract

Systems and techniques that facilitate precision-preserving qubit reduction based on spatial symmetries in fermionic systems are provided. In one or more embodiments, a symmetry component can generate a diagonalized second quantization representation of a spatial point group symmetry operation. The spatial point group symmetry operation can be associated with a molecule (e.g., a geometrical rotation, reflection, and/or inversion of a physical molecule that results in a new molecular orientation that is substantially the same as the original molecular orientation). In one or more embodiments, a transformation component can convert the diagonalized second quantization representation into a single Pauli string. In one or more embodiments, a tapering component can taper off qubits in a computational quantum algorithm that models properties of the molecule, based on the single Pauli string. Various embodiments can thus leverage geometrical spatial symmetries of a molecule to reduce a number of qubits needed to simulate the molecule.

Claims20

Dependent claims

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.

8 more elements

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.

7 more elements

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.

7 more elements

Dependencies are inferred from the claim text.

Precision-preserving qubit reduction based on spatial symmetries in fermionic systems

Life of this patent

Precision-preserving qubit reduction based on spatial symmetries in fermionic systems

Life of this patent

Abstract

Claims20