MedeA®

MedeA

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

Architecture

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

Requirements

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 and comes with parallel execution environments such as IntelMPI and OpenMP

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