From as-Desired Properties to as-Designed Structures

Computational Materials Science (CMS) is one of R&D tools to understand the nature based on the laws of nature as well as experimental science. CMS imitates the nature as a simple model and simulate the nature in the computer system. 

  • CMS finds Key Factors for developing new materials of desired properties from the complex experimental effects using the simple model systems.
  • CMS provides High-throughput Virtual Screening among the experimentally large number of candidate materials. The experimental R&D following Edisonian method, trial and error, is time-consuming and economically expensive.
  • CMS can provide New Insights into the development of new materials to guide experiments into a promising direction.

CMS can Design New Materials of Desired Properties through the Key Factors, High-throughput Virtual Screening and New Insights.


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