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1. 发明申请

WO2020120139A1 QUANTUM COMPUTATION OF MOLECULAR EXCITED STATES IN THE PRESENCE OF HAMILTONIAN SYMMETRIES 审中-公开
公开(公告)号：WO2020120139A1
公开(公告)日：2020-06-18
申请号：PCT/EP2019/082773
申请日：2019-11-27
申请人： INTERNATIONAL BUSINESS MACHINES CORPORATION , IBM UNITED KINGDOM LIMITED
发明人： CHEN, Richard , MEZZACAPO, Antonio , PISTOIA, Marco , OLLITRAULT, Pauline , TAVERNELLI, Ivano , GAMBETTA, Jay
IPC分类号： G06N10/00
摘要： Techniques regarding quantum computation of molecular excited states are provided. For example, one or more embodiments described herein can comprise a system, which can comprise a memory that can store computer executable components. The system can also comprise a processor, operably coupled to the memory, and that can execute the computer executable components stored in the memory. The computer executable components can comprise an initialization component that can categorize a plurality of excited operators from a mapped qubit Hamiltonian into sectors based on a commutation property of the plurality of excited operators with a symmetry from the mapped qubit Hamiltonian. The computer executable components can also comprise a matrix component that can generate an equation of motion matrix from an excited operator from the plurality of excited operators based on the sectors categorized by the initialization component.

2. 发明申请

WO2018033823A1 EFFICIENT REDUCTION OF RESOURCES FOR THE SIMULATION OF FERMIONIC HAMILTONIANS ON QUANTUM HARDWARE 审中-公开
标题翻译：量子硬件模拟费米子哈密顿的资源有效降低
公开(公告)号：WO2018033823A1
公开(公告)日：2018-02-22
申请号：PCT/IB2017/054758
申请日：2017-08-03
申请人： INTERNATIONAL BUSINESS MACHINES CORPORATION , IBM UNITED KINGDOM LIMITED , IBM (CHINA) INVESTMENT COMPANY LIMITED
发明人： TEMME, Paul, Kristan , BRAVYI, Sergey , GAMBETTA, Jay , MEZZACAPO, Antonio
IPC分类号： G06N99/00
摘要： A technique relates to reducing qubits required on a quantum computer. A Fermionic system is characterized in terms of a Hamiltonian. The Fermionic system includes Fermions and Fermionic modes with a total number of 2M Fermionic modes. The Hamiltonian has a parity symmetry encoded by spin up and spin down parity operators (1005). Fermionic modes are sorted such that the first half to 2M modes corresponds to spin up and the second half of 2M modes corresponds to spin down (1010). The Hamiltonian and the parity operators are transformed utilizing a Fermion to qubit mapping that transforms parity operators to a first single qubit Pauli operator on a qubit M and a second single qubit Pauli operator on a qubit 2M (1015). The qubit M having been operated on by the first single qubit Pauli operator and the qubit 2M having been operated on by the second single qubit Pauli operator are removed (1020).
摘要翻译：一种技术涉及减少量子计算机上所需的量子位。费米子体系的特征是哈密顿量。费米子系统包括费米子和费米子模式，总共有2M个费米子模式。哈密尔顿函数具有由自旋上升和下降平价运算符编码的奇偶对称性（1005）。费米子模式被分类，以使得前半部分到2M模式对应于旋转向上并且2M模式的后半部分对应于旋转向下（1010）。 Hamilton量和奇偶校验算子利用费米子进行变换以将奇偶校验算子变换为量子位M上的第一单个量子位Pauli算子和量子位2M（1015）上的第二单个量子位Pauli算子。已经由第一单量子位泡利算子操作的量子位M和已经由第二单量子位泡利算子操作的量子位2M被去除（1020）。

3. 发明申请

WO2019233893A1 QUANTUM COMPUTATIONS OF CLASSICAL SPECIFICATIONS 审中-公开
公开(公告)号：WO2019233893A1
公开(公告)日：2019-12-12
申请号：PCT/EP2019/064186
申请日：2019-05-31
申请人： INTERNATIONAL BUSINESS MACHINES CORPORATION , IBM UNITED KINGDOM LIMITED
发明人： PISTOIA, Marco , GAMBETTA, Jay , MEZZACAPO, Antonio , CHEN, Richard , WOOD, Stephen , PENG, Liu , HU, Shaohan , RICE, Julia, Elizabeth , TAVERNELLI, Ivano , HARRY PUTRA, Rudy, Raymond , BARKOUTSOS, Panagiotis , MOLL, Nikolaj
IPC分类号： G06N10/00 , G06F8/40 , G06F8/41
摘要： Systems, computer-implemented methods, and computer program products to facilitate quantum domain computation of classical domain specifications are provided. According to an embodiment, a system can comprise a memory that stores computer executable components and a processor that executes the computer executable components stored in the memory. The computer executable components can comprise an input transformation component that can be adapted to receive one or more types of domain-specific input data corresponding to at least one of a plurality of domains. The input transformation component can transform the one or more types of domain-specific input data to quantum-based input data. The computer executable components can further comprise a circuit generator component that, based on the quantum-based input data, can generate a quantum circuit.

4. 发明申请

WO2019105873A1 COST FUNCTION DEFORMATION IN QUANTUM APPROXIMATE OPTIMIZATION 审中-公开
公开(公告)号：WO2019105873A1
公开(公告)日：2019-06-06
申请号：PCT/EP2018/082495
申请日：2018-11-26
申请人： INTERNATIONAL BUSINESS MACHINES CORPORATION , IBM UNITED KINGDOM LIMITED
发明人： GAMBETTA, Jay , MEZZACAPO, Antonio , MOVASSAGH, Ramis , TEMME, Paul
IPC分类号： G06N10/00 , G06N5/00
摘要： Techniques for performing cost function deformation in quantum approximate optimization are provided. The techniques include mapping a cost function associated with a combinatorial optimization problem to an optimization problem over allowed quantum states. A quantum Hamiltonian is constructed for the cost function, and a set of trial states are generated by a physical time evolution of the quantum hardware interspersed with control pulses. Aspects include measuring a quantum cost function for the trial states, determining a trial state resulting in optimal values, and deforming a Hamiltonian to find an optimal state and using the optimal state as a next starting state for a next optimization on a deformed Hamiltonian until an optimizer is determined with respect to a desired Hamiltonian.

5. 发明申请

WO2021078827A1 PRECISION-PRESERVING QUBIT REDUCTION BASED ON SPATIAL SYMMETRIES IN FERMIONIC SYSTEMS 审中-公开
公开(公告)号：WO2021078827A1
公开(公告)日：2021-04-29
申请号：PCT/EP2020/079685
申请日：2020-10-22
申请人： INTERNATIONAL BUSINESS MACHINES CORPORATION , IBM DEUTSCHLAND GMBH
发明人： SETIA, Kanav , BRAVYI, Sergey , MEZZACAPO, Antonio , CHEN, Richard , PISTOIA, Marco , RICE, Julia
IPC分类号： G06N10/00
摘要： Systems and techniques that facilitate precision-preserving qubit reduction based on spatial symmetries in fermionic systems are provided. In one or more embodiments, asymmetry 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.

6. 发明申请

WO2021122085A1 ESTIMATION OF AN EXPECTED ENERGY VALUE OF A HAMILTONIAN 审中-公开
公开(公告)号：WO2021122085A1
公开(公告)日：2021-06-24
申请号：PCT/EP2020/084821
申请日：2020-12-07
申请人： INTERNATIONAL BUSINESS MACHINES CORPORATION , IBM DEUTSCHLAND GMBH
发明人： HARRY PUTRA, Rudy Raymond , BRAVYI, Sergey , MEZZACAPO, Antonio
IPC分类号： G06N5/00 , G06N10/00 , G06F17/16 , G06N5/003
摘要： Systems, computer-implemented methods, and computer program products to facilitate estimation of an expected energy value of a Hamiltonian based on data of the Hamiltonian, the quantum state produced by a quantum device and/or entangled measurements are provided. According to an embodiment, a system can comprise a memory that stores computer executable components and a processor that executes the computer executable components stored in the memory. The computer executable components can comprise a selection component that selects a quantum state measurement basis having a probability defined based on a ratio of a Pauli operator in a Hamiltonian of a quantum system. The computer executable components can further comprise a measurement component that captures a quantum state measurement of a qubit in the quantum system based on the quantum state measurement basis.

7. 发明申请

WO2020053054A1 CALCULATING EXCITED STATE PROPERTIES OF A MOLECULAR SYSTEM USING A HYBRID CLASSICAL-QUANTUM COMPUTING SYSTEM 审中-公开
公开(公告)号：WO2020053054A1
公开(公告)日：2020-03-19
申请号：PCT/EP2019/073651
申请日：2019-09-05
申请人： INTERNATIONAL BUSINESS MACHINES CORPORATION , IBM DEUTSCHLAND GMBH
发明人： OLLITRAULT, Pauline , BARKOUTSOS, Panagiotis , WOERNER, Stefan , PISTOIA, Marco , MEZZACAPO, Antonio , TAVERNELLI, Ivano
IPC分类号： G06N10/00
摘要： A method for calculating excited state properties of a molecular system using a hybrid classical-quantum computing system includes determining, using a quantum processor and memory, a ground state wavefunction of a combination of quantum logic gates. In an embodiment, the method includes forming a set of excitation operators. In an embodiment, the method includes forming a set of commutators from the set of excitation operators and a Hamiltonian operator. In an embodiment, the method includes mapping the set of commutators onto a set of qubit states, the set of qubit states corresponding to a set of qubits of the quantum processor. In an embodiment, the method includes evaluating, using the quantum processor and memory, the set of commutators. In an embodiment, the method includes causing a quantum readout circuit to measure an excited state energy from the set of computed commutators.

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