Published March 16, 2023
| Version 0.1.0
Software
Open
Code for "General framework for E(3)-equivariant neural network representation of density functional theory Hamiltonian"
Authors/Creators
- 1. Peking University
- 2. Tsinghua University
Description
This is the code implementation of DeepH-E3 described in the paper "General framework for E(3)-equivariant neural network representation of density functional theory Hamiltonian". The code and other details can also be found in GitHub.
Files
DeepH-E3-0.1.0.zip
Files
(1.8 MB)
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