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In this paper, accurate and advanced CMOS process and device simulations based on atomistic kinetic Monte Carlo (kMC) process simulator are presented. First, the methodology used to predict continuum 2-D/3-D doping profiles from 3-D atomistic distribution that can be directly transferred from process to device simulator is described. Calibration of damage evolution, dopant diffusion and clustering, interaction with interfaces, and the impact of impurities, which are crucial for accurate simulations, will be presented and discussed. Subsequently, comparison with a wide range of electrical-device characteristics showed that experimental results were remarkably well reproduced by the simulations. Finally, we shall demonstrate that device optimization can be achieved based on kMC process simulations, even for novel coimplant processes. This paves the way for the use of kMC in the design of devices and the optimization of device performance in technology computer-aided design for manufacturing.