Contrastive Learning of Coarse-Grained Force Fields

  title={Contrastive Learning of Coarse-Grained Force Fields},
  author={Xinqiang Ding and Bin W. Zhang},
  journal={Journal of chemical theory and computation},
Coarse-grained models have proven helpful for simulating complex systems over long time scales to provide molecular insights into various processes. Methodologies for systematic parametrization of the underlying energy function or force field that describes the interactions among different components of the system are of great interest for ensuring simulation accuracy. We present a new method, potential contrasting, to enable efficient learning of force fields that can accurately reproduce the… 
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