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.
Smart Materials Design
- 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.