Smart Materials Design

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High-level goals are connected to features gleaned from molecular modeling using traditional statistical models. Simcenter Culgi trains internal or external AI/ML architectures for creating new chemical formulas or improving the properties of current ones using molecular modeling information from the microscale to the mesoscale. A large range of design space can be quickly screened using AI/ML.

What you get from this white paper


  • Design space screening accelerates materials synthesis greatly using AI/ML.
  • There are fewer experiments or calculations, and Design of experiment (DOE) is completely reformulated.
  • The time to market for the finished product is greatly shortened by the digital transformation in product design and development.

Download White Paper

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