Computational catalyst discovery: Active classification through myopic multiscale sampling. Tran, K., Neiswanger, W., Broderick, K., Xing, E., Schneider, J., & Ulissi, Z. W The Journal of Chemical Physics, 154(12):124118, AIP Publishing LLC, 2021.
bibtex   
@article{tran2021computational,
  title={Computational catalyst discovery: Active classification through myopic multiscale sampling},
  author={Tran, Kevin and Neiswanger, Willie and Broderick, Kirby and Xing, Eric and Schneider, Jeff and Ulissi, Zachary W},
  journal={The Journal of Chemical Physics},
  volume={154},
  number={12},
  pages={124118},
  year={2021},
  publisher={AIP Publishing LLC}
}

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