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Tight-Binding via Deep Neural Network

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Welcome to TBDNN !

TBDNN is an open-source project for material science. It intends to generate Slaster-Koster tight-binding parameters using deep learning approaches such as multilayer perceptron, conventional neural networks, recurrent neural networks from the output of density functional theory (DFT)calculatons.

This is an ongoing project and I will update new results frequently. Stay tuned.

This project was supported via the nVidia Academic Program

For details of the project -> TBDNN Proposal

For qeuestions, please contact: [email protected]

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Tight-Binding via Deep Neural Network

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