Predicting thermoelectric properties from crystal graphs and material descriptors - first application for functional materials

no code implementations • 15 Nov 2018 • Leo Laugier, Daniil Bash, Jose Recatala, Hong Kuan Ng, Savitha Ramasamy, Chuan-Sheng Foo, Vijay R. Chandrasekhar, Kedar Hippalgaonkar

We introduce the use of Crystal Graph Convolutional Neural Networks (CGCNN), Fully Connected Neural Networks (FCNN) and XGBoost to predict thermoelectric properties.

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