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HPC matters ::: Knowledge- & Technologytransfer
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Siesta

Material Science Molecular Dynamics
SIESTA is both a method and its computer program implementation, to perform efficient electronic structure calculations and ab initio molecular dynamics simulations of molecules and solids. (Source: https://github.com/easybuilders/easybuild-easyconfigs )
  http://departments.icmab.es/leem/siesta 

Locations and versions:

 TU Dresden
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Major 4

    4.0  TU Dresden

Major 3

    3.2-pl4  TU Dresden