Users Group Meeting 2009

Oct 21-23 2009, Washington DC

Each year, Materials Design® invites our customers to 3 days of training and scientific exchange.
The 2009 meeting had a strong competition with wonderful museums in walking distance,
but all sessions were full (at least we overheard participants discussing their plans for visiting museums after the meeting.)

The training workshop focused on the many new features of VASP5: hybrid functionals, linear response, and the integration with MedeA - to get a better description of materials.

The scientific presentations clustered around

  • higher precision (VASP5, GW method),
  • bigger systems (Peridynamics, Grain boundaries, amorphous systems, forcefields) and
  • understanding materials properties, such as Mg for automotive applications

Presentations

Opening Remarks

Erich Wimmer

Theory of Solute Strengthening In Mg: From Density Functional Theory to Continuum Mechanics Modeling

Louis Hector Jr - General Motors

Peridynamics Predictions In Dynamic Fracture

Florin Bobaru - U Nebraska‐Lincoln

Strength of Grain Boundaries And Interfaces

Mikael Christensen

Simulated amorphisation and crystallisation of manganese oxides

Phuti Ngoepe - U Limpopo

First-­Principles Studies Of Long Periodic Structures (LPS) In Mg Alloys

Mitsumoto Kawai - Honda

Using MedeA/VASP To Estimate Thermal Conductivity

James Vollmer - Bechtel Marine Propulsion

VASP 5 In MedeA®: A Close Look Under the Hood

Walter Wolf

Recent Developments In Force-­Field Based Simulations

David Rigby Benoit Leblanc, Paul Saxe

Everything You Always Wanted To Know About the GW Method (But Were Afraid to Ask): The Random Phase Approximation

Georg Kresse - U Vienna

MedeA®: Charting The Course

Full Text and Download

You can download (most) of the presentations and publications.

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