@article{graphneuralnetworksacceleratedmolecular,
  title = {Graph Neural Networks Accelerated Molecular Dynamics},
  author = {Zijie Li and Kazem Meidani and Prakarsh Yadav and Amir Barati Farimani},
  year = {2021},
  eprint = {2112.03383},
  archivePrefix = {arXiv},
  url = {https://arxiv.org/abs/2112.03383v2},
}