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20162023
most citedCoarse Graining Molecular Dynamics with Graph Neural Networks

198 citations · 853 across the 15 of their papers we have counts for

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cond-mat.stat-mech2016★ 104 cited

Identification of simple reaction coordinates from complex dynamics

Robert T. McGibbon, Brooke E. Husic, Vijay S. Pande

Reaction coordinates are widely used throughout chemical physics to model and understand complex chemical transformations. We introduce a definition of the natural reaction coordin…