Published: On

MedeA® 2.8 released

Forcefields ...

Embedded Atom Method with LAMMPS ...

  • MedeA supports EAM for metallic systems
  • EAM forcefields are supplied with MedeA®, including Zhou's compendium for alloy systems.

MedeA-GIBBS ...

  • thermal expansivity and isothermal compressibility
  • total heat capacity
  • Joule-Thomson coefficient

VASP 5.2.11 ...

  • DFT-D2 approach of Grimme for van der Waals interactions improves description of molecular systems and weakly bound inorganic crystals
  • A broad range of additional enhancements and updates round out the VASP updates in MedeA 2.8.

Flowcharts ...

  • Flowcharts provide a perfect mechanism for developing reusable simulation strategies and protocols. LAMMPS, Gibbs, VASP, MOPAC, and building and editing tools may be combined in flowcharts.
  • Flowcharts are computationally efficient and designed for deep integration with MedeA’s TaskServer and JobServer architecture.

Streamlined Upgrade Process ...

Windows & Linux ...

  • works on Windows XP, Vista, Windows 7, and most current Linux versions.
  • simplified the installation of included Windows SQL server
  • easier connection to mysql on Linux.
Publish while: 
2012 Feb 2 - 11 - 2012 May 2 - 11

News & Views

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