2 results found Sort:

mzjb
DeepH-pack mzjb
46
219
lgpl-3.0
7
Deep neural networks for density functional theory Hamiltonian.
dft deeph julia physics pytorch hamiltonian equivariant-network ab-initio-simulations density-functional-theory first-principles-calculations
Created 2022-05-13
66 commits to main branch, last one 4 months ago
mzjb
xDeepH mzjb
3
32
lgpl-3.0
3
Extended DeepH (xDeepH) method for magnetic materials.
dft deeph physics pytorch hamiltonian equivariant-network ab-initio-simulations density-functional-theory first-principles-calculations
Created 2023-02-23
4 commits to main branch, last one about a year ago