MatCloud+材料云:高通量多尺度全流程的国产材料集成设计工业软件

MatCloud+:A High-throughput,Multi-scale and Full-Process Domestic Integrated Materials Design Industrial Software

人们对工业软件的理解大多为基于宏观有限元的模拟仿真,然而计算模拟很多时候还需深入到电子、原子和分子层次。为此,研发了微观多尺度材料集成设计工业软件MatCloud+材料云,不仅将建模、计算流、材料数据库、计算集群以及AI算法等一体化置于云端,而且研发了自主可控的第一原理计算和分子动力学程序包,积累材料数据近千万。高校和科研院所用户无需下载安装,通过浏览器即能开展高通量多尺度模拟。企业用户可部署私有云,通过“软件定义”方式,快速将碎片化的实验数据结构化,并与高通量计算数据融合开展材料智能设计。MatCloud+材料云的开发,打破了微观多尺度材料集成设计工业软件被国外垄断的局面。

Industrial software are mostlybased on macroscopic finite elements-based simulations. However,in many cases,we need simulations at the electron,atomic,and molecular level. In order to address this need,is developed the microscopic multi-scale integrated materials design industrial software is developed,namely,MatCloud+. MatCloud+ not only integrates materials modelling,simulation workflow,material database,high performance computing cluster,and AI algorithm into the Cloud,but also develops an autonomous & controllable first-principles simulation software package and molecular dynamics software package,accumulating nearly 10 million material data. Academic users can run high-throughput multi-scale materials simulation only through Web browsers without downloading and installing any software. Enterprise users can deploy MatCloud+ as a private Cloud to quickly transform the fragmented materials experimental data into database and integrate with high-throughput simulation data to carry out intelligent material design. The development of MatCloud+ has broken down the monopoly of microscopic multi-scale integrated materials design industrial software dominated by foreign countries.