Prediction of Large Magnetic Moment Materials With Graph Neural Networks and Random Forests

no code implementations • 29 Nov 2021 • Sékou-Oumar Kaba, Benjamin Groleau-Paré, Marc-Antoine Gauthier, André-Marie Tremblay, Simon Verret, Chloé Gauvin-Ndiaye

Crystal graph convolutional neural networks (CGCNN), materials graph network (MEGNet) and random forests are trained on the Materials Project database that contains the results of high-throughput DFT predictions.

BIG-bench Machine Learning