Machine-learning-accelerated simulations to enable automatic surface reconstruction

Xiaochen Du, James K. Damewood, Jaclyn R. Lunger, Reisel Millan, Bilge Yildiz, Lin Li, Rafael Gómez-Bombarelli. Machine-learning-accelerated simulations to enable automatic surface reconstruction. Nat. Comput. Sci., 3(12):1034-1044, 2023. [doi]

@article{DuDLMYLG23,
  title = {Machine-learning-accelerated simulations to enable automatic surface reconstruction},
  author = {Xiaochen Du and James K. Damewood and Jaclyn R. Lunger and Reisel Millan and Bilge Yildiz and Lin Li and Rafael Gómez-Bombarelli},
  year = {2023},
  doi = {10.1038/s43588-023-00571-7},
  url = {https://doi.org/10.1038/s43588-023-00571-7},
  researchr = {https://researchr.org/publication/DuDLMYLG23},
  cites = {0},
  citedby = {0},
  journal = {Nat. Comput. Sci.},
  volume = {3},
  number = {12},
  pages = {1034-1044},
}