标题： 在量子计算机上第二量化量子化学模拟的量子比特资源优化 显示英文标题

标题： Optimizing qubit resources for quantum chemistry simulations in second quantization on a quantum computer

摘要： 量子计算机上的量子化学模拟会因将费米子问题编码为量子比特的玻色子系统所需的开销而受到影响。 通过利用费米子哈密顿量的块对角性，我们表明所需量子比特的数量可以减少两倍或更多。 由于所有操作都可以在算子空间中执行，因此不需要进入希尔伯特空间的基。 该方案被设计为一个预计算步骤，在实际量子模拟之前将在经典计算机上执行。 我们将此方案应用于减少模拟两个站点费米-哈伯德模型的哈密顿量和氢分子所需的量子比特数量。 然后，这两个量子系统都可以用两个量子比特的量子计算机进行模拟。 显示英文摘要

摘要： Quantum chemistry simulations on a quantum computer suffer from the overhead needed for encoding the fermionic problem in a bosonic system of qubits. By exploiting the block diagonality of a fermionic Hamiltonian, we show that the number of required qubits can be reduced by a factor of two or more. There is no need to go into the basis of the Hilbert space for this reduction because all operations can be performed in the operator space. The scheme is conceived as a pre-computational step that would be performed on a classical computer prior to the actual quantum simulation. We apply this scheme to reduce the number of qubits necessary to simulate both the Hamiltonian of the two-site Fermi-Hubbard model and the hydrogen molecule. Both quantum systems can then be simulated with a two-qubit quantum computer.