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Eipgen authored Nov 1, 2024
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Expand Up @@ -72,7 +72,9 @@ M-OFDFT is a deep-learning implementation of orbital-free density functional the
- [equivariant_electron_density](https://github.com/JoshRackers/equivariant_electron_density)
Generate and predict molecular electron densities with Euclidean Neural Networks
- [DeePDFT](https://github.com/peterbjorgensen/DeepDFT)
This is the official Implementation of the DeepDFT model for charge density prediction.
This is the official Implementation of the DeepDFT model for charge density prediction.
- [DFA_recommeder](https://github.com/hjkgrp/dfa_recommender)
System-specific density functional recommender
## Green Function
- [DeepGreen](https://arxiv.org/abs/2312.14680)
The many-body Green's function provides access to electronic properties beyond density functional theory level in ab inito calculations. It present proof-of-concept benchmark results for both molecules and simple periodic systems, showing that our method is able to provide accurate estimate of physical observables such as energy and density of states based on the predicted Green's function.
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