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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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Publication date:
April 21, 2022
DOI:
10.5281/zenodo.6764836

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10.5281/zenodo.6764836

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