This is a draft accumulation of the electronic structure and molecular dynamics codes hosted on nanoHUB.  
We will need to link properly to the tools and the supplemental material.

StrainBands:
https://nanohub.org/resources/strainbands
powered by:
Electronic structure calculations performed by PWscf and Quantum-Espresso v3.2.2
Maximally-localised Wannier functions calculated by Wannier90 v1.0.2


Quantum Espresso:
https://nanohub.org/resources/dftqe

Abinit:
https://nanohub.org/resources/abinit

quantum chemistry Lab - powered by GAMESS
https://nanohub.org/resources/qclab


Seaquest - for nanomaterials:
https://nanohub.org/resources/nmst_dft

Molecular dynamics:
https://nanohub.org/resources/matsimtk


There is a topics page on MD which summarizes some of the MD tools:
https://nanohub.org/topics/MD