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

Dr. David Rigby will be speaking at the Golden Gate Polymer Forum on July 26th. Register here to attend!

Applications in Chemical Engineering and the Oil & Gas Industry. Watch it here!

Our scientists are traveling in June to give presentations on many materials and programs...

Click here to watch the recording!

Click here to see the new capabilities of 2.21

Software Platforms for Electronic/Atomistic/Mesoscopic Modeling: Status and Perspectives