The History of NEMO5

NEMO5 was conceived mainly in 2010, with a lot of bugfixing and optimization in early 2011. The basic idea was to combine all the functionality and the best concepts and methods of previous NEMO and OMEN projects into a single code, while focusing on the following paradigms:

  • Modularity: Being a complex code with a lot of different use cases, it is very essential that code pieces which perform different tasks should be kept apart and isolated as modules, with a standardized communication interface between them. This allows for easy extensions and replacements.
  • Documentation: With many researchers involved in the code development, it is important to document the entire code well. NEMO5 provides three levels of documentation: a user manual, developer documentation that is automatically generated from code comments using doxygen, and additional loose pieces of information in the form of Powerpoint, Word or Latex documents explaining individual parts of the code.
  • Generality: We have tried to keep the 'quick fixes' within the code to a minimum, therefore allowing for a general implementation. Examples for this are the dimensionality / periodicity of the simulated structure (0D,1D,2D,3D), the independence on the coordination number of the atoms, and the complete flexibility regarding the choice and orientation of the crystal unit cells.


Core Developers (in alphabetical order):

Additional Developers:

Former Developers


  • NSF grant 0749140 ("PetaApps")
  • NSF grant EEC-0228390 that funds Network for Computational Nanotechnology.
  • SRC Support from the Semiconductor Research Corporation and Intel is acknowledged.