Event Detail

Event Type: 
Applied Mathematics and Computation Seminar
Date/Time: 
Friday, October 30, 2009 - 05:00 to 06:00
Location: 
GLK 113

Speaker Info

Institution: 
Oregon State University Department of Physics
Abstract: 

Computational materials design can be defined broadly as finding new
materials or even just candidate materials with the potential for desired
properties or property combinations using only computer simulations (in
silico).
Computational materials design is an attractive goal and is featured
prominently in all Department of Energy white papers on clean energy and
energy storage. However, until now there are only few examples of successful
applications of computational materials design. I will give a broad
overview, intended for non specialists, of the tools available in condensed
matter theory and materials science for use in computational materials
design, with a focus on mathematical and computational issues. Examples of
completed and ongoing computational materials design projects illustrate the
difficulties.