Projects in Awesome Lists tagged with dftb
A curated list of projects in awesome lists tagged with dftb .
https://github.com/dftbplus/dftbplus
DFTB+ general package for performing fast atomistic simulations
atomistic-simulations density-functional-theory dftb quantum-mechanics tight-binding
Last synced: 20 Nov 2024
https://github.com/grimme-lab/gbsa-parameters
Parameter files for the GBSA implicit solvation model
dftb dftbplus solvation tight-binding
Last synced: 25 Mar 2025
https://github.com/molssi-seamm/dftbplus_step
A plug-in for DFTB+ in a SEAMM flowchart
computational-chemistry computational-materials-science dftb dftbplus molssi molssi-seamm
Last synced: 25 Apr 2025
