Benchmark of Machine Learning Force Fields for Semiconductor Simulations: Datasets, Metrics, and Comparative Analysis

Geonu Kim, Byunggook Na, Gunhee Kim, Hyuntae Cho, Seungjin Kang +5 more
2/12/2026

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@article{kim2026benchmark,
  title  = {Benchmark of Machine Learning Force Fields for Semiconductor Simulations: Datasets, Metrics, and Comparative Analysis},
  author = {Geonu Kim and Byunggook Na and Gunhee Kim and Hyuntae Cho and Seungjin Kang and Hee Sun Lee and Saerom Choi and Heejae Kim and Seungwon Lee and Yongdeok Kim},
  year   = {2026},
  doi    = {10.52202/075280-2240},
  url    = {https://doi.org/10.52202/075280-2240},
  journal = {NEURIPS 2023 2023}
}

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