US 11,894,107 B2
Precision-preserving qubit reduction based on spatial symmetries in fermionic systems
Kanav Setia, Hanover, NH (US); Sergey Bravyi, Ossining, NY (US); Antonio Mezzacapo, Westchester, NY (US); Richard Chen, Mount Kisco, NY (US); Marco Pistoia, Amawalk, NY (US); and Julia Elizabeth Rice, Sunnyvale, CA (US)
Assigned to INTERNATIONAL BUSINESS MACHINES CORPORATION, Armonk, NY (US)
Filed by International Business Machines Corporation, Armonk, NY (US)
Filed on Oct. 22, 2019, as Appl. No. 16/660,059.
Prior Publication US 2021/0118529 A1, Apr. 22, 2021
Int. Cl. G01N 33/48 (2006.01); G01N 33/50 (2006.01); G16C 10/00 (2019.01); G06N 10/00 (2022.01); G06F 17/16 (2006.01)
CPC G16C 10/00 (2019.02) [G06F 17/16 (2013.01); G06N 10/00 (2019.01)] 20 Claims
OG exemplary drawing
 
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.