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20172022
most citedGraph Networks as a Universal Machine Learning Framework for Molecules and Crystals

1.6k citations · 2.1k across the 5 of their papers we have counts for

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Showing 2017 · cond-mat.mtrl-sciShow all

1 paper · 2 filters

cond-mat.mtrl-sci2017★ 268 cited

Deep Neural Networks for Accurate Predictions of Garnet Stability

Weike Ye, Chi Chen, Zhenbin Wang +2

Predicting the stability of crystals is one of the central problems in materials science. Today, density functional theory (DFT) calculations are the computational tool of choice t…