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20182022
most citedPhysical Pooling Functions in Graph Neural Networks for Molecular Property Prediction

59 citations · 186 across the 4 of their papers we have counts for

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cond-mat.soft2018★ 35 cited

Interpretation of the vibrational spectra of glassy polymers using coarse-grained simulations

Rico Milkus, Christopher Ness, Vladimir V. Palyulin +3

The structure and vibrational density of states (VDOS) of polymer glasses are investigated using numerical simulations based on the classical Kremer-Grest bead-spring model. We foc…