The MedeA® modeling suite is the leading software package for atomistic-scale simulation of materials. MedeA® is modular, and that the MedeA Environment is the most fundamental piece of MedeA® into which all of the other modules "plug”. All users need the MedeA Environment. Indeed the MedeA Environment is provided to users together with other essential components (InfoMaticA and JobServer/TaskServer) in the Welcome to MedeA Bundle which is required for all MedeA® users.

The MedeA Environment includes a rich set of building and basic analysis capabilities which do not need to be licensed separately:

  • Surface Builder
  • Molecular Builder
  • PolymerBuilder
  • Nanoparticle and Nanotube Builders
  • Substitutional Search
  • Random Substitutions
  • Special Quasirandom Structures (SQS)
  • Layer Builder

In addition, Forcefields for classical simulations are assigned and managed within the MedeA Environment


The MedeA® software consists of three levels, a graphical user interface, databases, and simulation programs. Communication between layers is through JobServers and TaskServers.


64bit Linux/Windows desktops or laptop computers.
- Windows XP, Vista, Windows 7, Windows Server 2003, Windows 8, Windows10
- Linux: RedHat Enterprise Linux, Oracle Linux, SuSE, CentOS, Fedora, Ubuntu, Debian

MedeA® supports integration with the queuing systems: PBS/OpenPBS/Torque, LSF, GridEngine, SLURM as well as parallel execution with IntelMPI and OpenMP

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