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IMPROVING QUANTUM ALGORITHMS FOR QUANTUM CHEMISTRY

机译:改进量子化学的量子算法

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摘要

We present several improvements to the standard Trotter-Suzuki based algorithms used in the simulation of quantum chemistry on a quantum computer. First, we modify how Jordan-Wigner transformations are implemented to reduce their cost from linear or logarithmic in the number of orbitals to a constant. Our modification does not require additional ancilla qubits. Then, we demonstrate how many operations can be parallelized, leading to a further linear decrease in the parallel depth of the circuit, at the cost of a small constant factor increase in number of qubits required. Thirdly, we modify the term order in the Trotter-Suzuki decomposition, significantly reducing the error at given Trotter-Suzuki timestep. A final improvement modifies the Hamiltonian to reduce errors introduced by the non-zero Trotter-Suzuki timestep. All of these techniques are validated using numerical simulation and detailed gate counts are given for realistic molecules.
机译:我们对基于量子Trotter-Suzuki的标准算法进行了一些改进,这些算法用于在量子计算机上模拟量子化学。首先,我们修改如何实现Jordan-Wigner变换,以将其成本从轨道数的线性或对数减少到一个常数。我们的修改不需要额外的辅助量子位。然后,我们演示了可以并行执行多少个运算,从而导致电路的并行深度进一步线性减小,但代价是所需位数的增加是一个很小的恒定因数。第三,我们修改了Trotter-Suzuki分解中的项顺序,从而显着减少了给定Trotter-Suzuki时间步长的误差。最后的改进是修改哈密顿量,以减少非零Trotter-Suzuki时间步引入的误差。所有这些技术均使用数值模拟进行了验证,并给出了实际分子的详细门数。

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