Deep coarse-grained potentials via relative entropy minimization

HIGHLIGHTS

• who: Deep Coarse-grained Potentials via et al. from the TUM School Technical University of Munich, Germany have published the Article: Deep Coarse-grained Potentials via Relative Entropy Minimization, in the Journal: (JOURNAL) of 21/Nov/2022
• what: The authors demonstrate for benchmark problems of liquid water and alanine dipeptide that RE training is more data efficient due to accessing the CG distribution during training resulting in improved free energy surfaces and reduced sensitivity to prior In the following, the authors focus on the bottom-up learning case with the aim to obtain a CG . . .
  

   

  

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