As semiconductor devices become miniaturized and their structures become more complex, there is a growing need for large-scale atomic-level simulations as a less costly alternative to the trial-and-error approach during development.Although machine learning force fields (MLFFs) can meet the accuracy and scale requirements for such simulations, there are no open-access benchmarks for semiconductor materials.Hence, this study presents a comprehensive benchmark suite that consists of two semiconductor material datasets and ten MLFF models with six evaluation metrics.

As semiconductor devices become miniaturized and their structures become more complex, there is a growing need for large-scale atomic-level simulations as a less costly alternative to the trial-and-error approach during development.Although machine learning force fields (MLFFs) can meet the accuracy and scale requirements for such simulations, there are no open-access benchmarks for semiconductor materials.Hence, this study presents a comprehensive benchmark suite that consists of two semiconductor material datasets and ten MLFF models with six evaluation metrics.