Pinned Repositories
AiM3G
AiM3G: An ultra-efficient, compact, and powerful AIRSS+M3GNet atomic structure searching tool!
DeepH-pack
Deep neural networks for density functional theory Hamiltonian. Branch created by Tang ZC @ Tsinghua Univ.
github_aaaa
repository of aaaashanghai
QC-DMET
QC-DMET: a python implementation of density matrix embedding theory for ab initio quantum chemistry
DeepH-pack
Deep neural networks for density functional theory Hamiltonian.
aaaashanghai's Repositories
aaaashanghai/AiM3G
AiM3G: An ultra-efficient, compact, and powerful AIRSS+M3GNet atomic structure searching tool!
aaaashanghai/DeepH-pack
Deep neural networks for density functional theory Hamiltonian. Branch created by Tang ZC @ Tsinghua Univ.
aaaashanghai/github_aaaa
repository of aaaashanghai
aaaashanghai/QC-DMET
QC-DMET: a python implementation of density matrix embedding theory for ab initio quantum chemistry