2results about How to "Suitable for practical application" patented technology

The application discloses a design method and system of a two-dimensional material loaded metal monatomic catalyst, comprising the following steps: firstly, generating a substrate structure by using a random strategy, a space group and graph theory; then, removing and optimizing the substrate structure according to atomic environment and lattice constant comparison; then, confirming a stable substrate structure by using a density functional perturbation theory method and ab initio molecular dynamics calculation; then, loading a monatomic transition metal on the substrate to obtain a monatomic catalyst model, and constructing a catalyst attribute database by using first principle calculation; finally, designing a monatomic catalyst by machine learning and database interpretation analysis. The application can quickly obtain a target two-dimensional material loaded metal monatomic catalyst by combining high-throughput screening method, first principle calculation and machine learning.

The invention provides a big data information management system, and relates to the field of big data information management, and the system comprises the following modules: a data collection module which collects data from a plurality of sources in real time and in batches by using data capture, web crawler and API interface technologies; the data storage module is used for storing mass data by adopting a distributed storage system and ensuring high availability and expandability of the data; the data processing module is used for processing and analyzing big data by utilizing a distributed computing framework and improving the processing efficiency through parallel computing; a sorting algorithm is used for data sorting. Through distributed storage and calculation, efficient data processing, advanced visualization, comprehensive data security, system operation and maintenance improvement and flexible data collection, efficient storage and management of mass data are realized, the data processing and analysis capability is improved, the data readability and security are enhanced, the system stability and reliability are ensured, and the application prospect is wide. And meanwhile, the flexibility and efficiency of data collection and integration are improved.