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physics.comp-ph2020★ 279 cited
Global Attention based Graph Convolutional Neural Networks for Improved Materials Property Prediction
Steph-Yves Louis, Yong Zhao, Alireza Nasiri +4
Machine learning (ML) methods have gained increasing popularity in exploring and developing new materials. More specifically, graph neural network (GNN) has been applied in predict…
physics.comp-ph2020★ 31 cited
Machine Learning based prediction of noncentrosymmetric crystal materials
Yuqi Song, Joseph Lindsay, Yong Zhao +5
Noncentrosymmetric materials play a critical role in many important applications such as laser technology, communication systems,quantum computing, cybersecurity, and etc. However,…