deeph

There are 0 repository under deeph topic.

DeepH-pack
mzjb / DeepH-pack
Deep neural networks for density functional theory Hamiltonian.
ab-initio-simulations deeph density-functional-theory dft equivariant-network first-principles-calculations hamiltonian julia physics pytorch
Language:Python 186
mzjb / xDeepH
Extended DeepH (xDeepH) method for magnetic materials.
ab-initio-simulations deeph density-functional-theory dft equivariant-network first-principles-calculations hamiltonian physics pytorch
Language:Python 28
PhysAIzhijiang / DFTkit-learn
DFT软件编译使用手册. This project aims to learn DFT packages from the start, like FHI-aims, ABACUS, and so on.
abacus fhi-aims deeph
Language:Shell 2