Software - Scientific and Technical Applications and Tools

 

In the following a list of available software is shown. Not all software is available on all systems. The availability of an application can be restricted by the terms of its license. Detailed information are available on request. For more information contact Jens Simon

  • Scientific and technical applications
  • Chemical and physical applications
    • Gaussian - Electronic structure
    • Gromacs  - Molecular dynamics
    • MOE - Molecular operating environment
    • NWChem - Ab-initio and semiempirical computational chemistry package
    • ORCA - Electronic Structure Program Package
    • Siesta - Ab-initio Molecular Dynamics
    • TurboMole - Ab-initio Electronic Structure Calculations
    • VASP - Ab-initio quantum-mechanical molecular dynamics
    • VMD - Visual Molecular Dynamics
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