SimProfile: A Monte Carlo Surface Profile Simulator with Data-Driven Parameter Calibration

Accurate prediction of surface morphology evolution is essential for virtual process development in semiconductor manufacturing. We present SimProfile, a flexible surface profile simulator based on the Monte Carlo method, capable of modeling both plasma etching and deposition processes. SimProfile incorporates detailed surface interaction models, including chemical reactions, sputtering, redeposition and reflection dynamics, to reproduce anisotropic profile evolution in complex plasma environments. A key feature of the simulator is its data-driven parameter calibration framework, which calibrates uncertain process parameters, such as reaction probabilities and sputtering yields, using experimental SEM images. By iteratively minimizing the discrepancy between simulated and measured profiles, SimProfile enables high-fidelity simulations with minimal manual calibration. We demonstrate the effectiveness of this approach through a case study of \( SF_6 / O_2 \) plasma etching, showing good agreement between simulated and experimental trench geometries. SimProfile provides a robust foundation for data-assisted modeling of nanoscale surface processes in both etching and deposition applications.