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20202024
most citedGlobal Attention based Graph Convolutional Neural Networks for Improved Materials Property Prediction

279 citations · 514 across the 15 of their papers we have counts for

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2 papers · 1 filter

cond-mat.mtrl-sci2024★ 2 cited

CSPBench: a benchmark and critical evaluation of Crystal Structure Prediction

Lai Wei, Sadman Sadeed Omee, Rongzhi Dong +6

Crystal structure prediction (CSP) is now increasingly used in discovering novel materials with applications in diverse industries. However, despite decades of developments and sig…

cond-mat.mtrl-sci2024

AlphaCrystal-II: Distance matrix based crystal structure prediction using deep learning

Yuqi Song, Rongzhi Dong, Lai Wei +2

Computational prediction of stable crystal structures has a profound impact on the large-scale discovery of novel functional materials. However, predicting the crystal structure so…