1. Computer Network Information Centre，Chinese Academy of Sciences,Beijing 100190, China
2. University of Chinese Academy of Sciences, Beijing 100049, China
3. Beijing Maigao MatCloud Co., Ltd., Beijing 100190, China
In China, carrying out firstprinciples simulation is always limited to 1~2 commercial softwares, these softwares not only require software licenses, but also need to be downloaded and manually deployed to high-performance computing clusters, which greatly restricts the application of first-principles simulations. Based on fundamental Quantum ESPRESSO first-principles simulation package, we developed AI-driven high-throughput first-principles simulation acceleration algorithm, parameter intelligent recommendation algorithm, input structure unifying algorithm, automatic post-processing engine, component engine, graphical engine, more simulation functions, and application programming interface(API) to MatCloud+ cloud platform, forming a Cloud-native first-principles simulation software package, namely MatCloudQE. Through the MatCloud+ cloud platform, users can carry out QE firstprinciples simulation and data management on-line only through the Web browser without downloading or installing any third-party softwares. This paper takes the first-principles simulation of material properties of inorganic perovskite Rb1-xCsxPbI3 as an example, showing that the MatCloud-QE firstprinciples simulation package can be used through the MatCloud+ cloud platform to calculate energy gap, state density and optical properties. The calculation results are not only consistent with the results from literatures, but also reduce the number of manual interventions by more than 90% during the entire computing process, which greatly improves efficiency.