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Single-chain CG Polymers in Simulate Time-integrated Coarse-grained Molecular Dynamics with Geometric Machine Learning

Fu, Xiang; Xie, Tian; Rebello, Nathan; Olsen, Bradley; Jaakkola, Tommi

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@misc{fu_xiang_2022_6764836,
  author       = {Fu, Xiang and
                  Xie, Tian and
                  Rebello, Nathan and
                  Olsen, Bradley and
                  Jaakkola, Tommi},
  title        = {{Single-chain CG Polymers in Simulate Time- 
                   integrated Coarse-grained Molecular Dynamics with
                   Geometric Machine Learning}},
  month        = apr,
  year         = 2022,
  publisher    = {Zenodo},
  doi          = {10.5281/zenodo.6764836},
  url          = {https://doi.org/10.5281/zenodo.6764836}
}
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Publication date:
April 21, 2022
DOI:
10.5281/zenodo.6764836

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Keyword(s):
molecular dynamics polymer coarse graining machine learning
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