Advances in atomistic modeling for predictive TCAD applications

Atomistic simulations are rapidly becoming critical building blocks for predictive TCAD, and are increasingly utilized in the expanding coverage of applications way beyond the original TCAD scope. This paper aims to give an overview on some of the key aspects of material engineering and physical process optimizations. The continuous evolution in methodology for more accurate and realistic atomistic modeling, as well as improvements in computational efficiency such as automation to deal with large amount of data generation and analysis, are covered. An overall comprehensive hierarchical approach to move TCAD toward true virtual fab is also proposed.