With the deepening of quantum chemistry research and the improvement of computing software, they play an important role in the process of scientific research and chemistry teaching. Researchers have already applied multiple quantum chemistry computing softwares to provide functional materials properties simulation services in a competitive fashion.
Below are the major benefits of functional materials properties simulation I sorted out:
- Provide property parameters for many material manufacturing processes
- Assist in material design
- Assist in material design technology (such as casting, forging, extrusion, etc.)
- Save a lot of project time and experiment costs
- Provide references for basic research such as thermodynamic calculations
