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 - Materials Design

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
Dave 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
Paul Saxe - Mater

Impact of Materials Research

Lou Hector showed the following video to remind us of the context and relevance of materials research: