Projects in Awesome Lists tagged with atomic-simulation-environment
A curated list of projects in awesome lists tagged with atomic-simulation-environment .
https://github.com/santoshkumarradha/pysktb
Scientific Python package for solving Slater Koster tight-binding topological hamiltonian
ase atomic-simulation-environment band-structure computational-physics condensed dft electronic-structure electronic-structure-calculations hamiltonian physics pymatgen python quantum slater-koster tight-binding topological-insulator topological-insulators topology
Last synced: 15 Apr 2025
https://github.com/blokhin/materials-informatics-tutorial
A quick tutorial for modern materials science, should the reader be not familiar with it and just wishing to crack the data
atomic-simulation-environment materials-informatics materials-science optimade
Last synced: 07 May 2025
https://github.com/santoshkumarradha/pyquestaal
Python class to interface with QUESTAAL Quantum codes which is a suite of electronic structure programs.
ase atomic-simulation-environment condensed-matter-physics dft electronic-structure gw physics pymatgen python qsgw questaal
Last synced: 22 Apr 2025