Users Group Meeting 2010

Users Group Meeting 2010

Oct 27-29 2010, San Diego, CA

Each year, Materials Design® invites our customers to 3 days of training and scientific exchange. This year we hosted a home game in San Diego and highlighted the exciting growth happening in and around our company:

MedeA® continues to get more accurate results on the quantum level with the latest developments in VASP, branches out to the molecular world with LAMMPS and MOPAC, and samples in more efficient way than molecular dynamics with Gibbs.

The training workshop focused on the many new features of MedeA®:

• Phase diagrams within the Pauling Files
• Flowcharts to cut straight to science and property prediction with LAMMPS and Gibbs
• Optical properties and accurate bandgaps with VASP 5 based on linear response and hybrid functionals

The scientific presentations focused on

• catalysis and how to make the most out of precious metals
• pushing the limits of stability and efficiency for alloys in energy and aerospace applications
• dispersing myths about "correlated" systems based on systematic studies with hybrid functionals and further insights in the latest developments of VASP
• material properties with a nice set of complimentary methods: statistical thermodynamics (Gibbs), forcefields, LAMMPS and semiempirical (MOPAC) methods

Presentations