MedeA® 2.8 released

Forcefields ...

• Extensive enhancements to Material Design's PCFF+ forcefield
• straight chain hydrocarbon densities and cohesive energy densities are within 0.3% of experimental values using PCFF+.

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 ...

• Simply start the upgrade program, connect to Materials Design® to get the newer components.
• The installation DVD works for updating an existing installation.
• One disk is all you need with databases for both Windows and Linux.

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.