论文标题

使用Qiskit上的VQE算法模拟分子

Simulating molecules using the VQE algorithm on Qiskit

论文作者

Anaya, Alan, Delgado, Francisco

论文摘要

Feynmans采用量子系统模拟其他量子系统的想法产生了量子模拟。虽然当前的量子计算机仍然容易发电和依赖误差校正,但使用两种量子和经典计算的混合算法的开发允许执行量子模拟。在这些算法中,变异量子本质量算法已允许通过利用Rayleigh Ritz变异原理来探索简单原子和分子的电子结构。在这项工作中,我们提供了VQE算法的实施,以在python的Qiskit库上找到氢分子的基态能。

Feynmans ideas to employ quantum systems for simulating other quantum systems gave rise to quantum simulation. While current quantum computers are still prone to decoherence and rely on error correction, the development of hybrid algorithms that employ both quantumand classical computation allow to perform quantum simulation. Among these algorithms, the Variational Quantum Eigensolver algorithm has permitted to explore the electronic structure of simple atoms and molecules by exploiting the Rayleigh Ritz variational principle. In this work we provide the implementation of the VQE algorithm for finding the ground state energy of the hydrogen molecule on Qiskit library for python.

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