''This is a draft accumulation of the electronic structure and molecular dynamics codes hosted on nanoHUB.  When complete, this page will link to both the tools and the supplemental material.''

==Tools==
[[Resource(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

 :StrainBands can be used to explore the influence of strain on first-principles bandstructures of semiconductors.

[[Resource(dftqe)]]

[[Resource(abinit)]]

[[Resource(qclab)]] powered by GAMESS

[[Resource(nmst_dft)]] powered by Seaquest

[[Resource(matsimtk)]] powered by Strachan Group MD

==Supplemental Material==

[/topics/MD Molecular dynamics simulations of materials] is a topics page on MD which summarizes some of the MD tools.