Frontiers of Data and Computing ›› 2021, Vol. 3 ›› Issue (2): 120-132.

doi: 10.11871/jfdc.issn.2096-742X.2021.02.014

• Technology and Applicaton • Previous Articles     Next Articles

A Review of Material Research and Development Methods Based on Computer Technology

GUO Jialong1,2(),WANG Zongguo1,2,*(),WANG Yangang1,2(),ZHAO Xushan1(),SU Yanjing3(),LIU Zhiwei1,2()   

  1. 1. Computer Network Information Center, Chinese Academy of Sciences, Beijing 100190, China
    2. University of Chinese Academy of Sciences, Beijing 100049, China
    3. Institute for Advanced Materials and Technology, University of Science and Technology Beijing, Beijing 100083, China
  • Received:2020-12-11 Online:2021-04-20 Published:2021-05-18
  • Contact: WANG Zongguo;;;;;


[Objective] With the advent of the era of big data and the proposal of the Materials Genome Initiative, the research and development mode of materials has experienced a fundamental transformation from "trial and error" to the fourth paradigm of material science. This paper aims to summarize the computer technologies involved in this new materials research mode. [Methods] Based on the literatures on material computation and data-driven techniques in recent years, the paper summarizes and discusses the application of computer technologies in material research and development. [Results] The innovation mode marked by “data + artificial intelligence” and computational material science can improve the efficiency of material research significantly, and can explore the relationship between various material parameters and performance from multi-dimensional perspectives. [Conclusions] The application of computer technologies is of great importance to material research in accelerating progress, improving material understandings, and key technology breakthroughs.

Key words: material informatics, machine learning, data driven