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EFFICIENT QUANTUM CHEMISTRY SIMULATION USING GATE-BASED QUBIT QUANTUM DEVICES

机译:基于栅极的Qubit量子装置的高效量子化学仿真

摘要

A method for simulating a quantum chemistry system is described, wherein the method may comprise: determining a hard-core bosonic Hamiltonian describing the quantum chemistry system, the Hamiltonian model in effect restricting the electronic states to electron singlet state configurations; determining a "paired- electron unitary coupled cluster with double excitations" (pUCCD) ansatz, the ansatz being restricted to paired-electron configurations; mapping the pUCCD ansatz to qubit operations of a quantum circuit, the quantum circuit comprising a set of qubits and gates for enabling pairs of qubits to interact with each other; and, determining a trial state on the quantum circuit by applying the qubit operations defined by the mapped pUCCD ansatz to the qubits; and, determining an energy of the quantum chemistry system based on the trial state and the restricted Hamiltonian, grouping the Hamiltonian terms into three sets of operators which can be measured simultaneously; and, an error-mitigation technique, based on post-selection of the quantum measurements with the known particle number.
机译:描述了一种用于模拟量子化学系统的方法,其中该方法可以包括:确定描述量子化学系统的硬核振荡哈密顿,哈密顿模型将电子状态限制为电子单线状态配置;确定“具有双激发”(PUCCD)Ansatz的“配对电子酉耦合集群,ansatz被限制为配对电子配置;将PUCCD ANSATZ映射到量子电路的QUBBit操作,该量子电路包括一组Qbits和栅极,用于使Qubits对彼此相互作用;并且,通过将由映射的PUCCD ANSATZ定义的Qubit操作应用于QUBits来确定量子电路上的试验状态;并且,基于试验状态和受限制的哈密顿人确定量子化学系统的能量,将哈密顿术语分组为三组操作员,该术人可以同时测量;并且,基于用已知粒子数的量子测量的级测量后选择错误缓解技术。

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