- Series
- Job Candidate Talk
- Time
- Thursday, December 1, 2011 - 3:00pm for 1 hour (actually 50 minutes)
- Location
- Skiles 005
- Speaker
- Dr. Jianfeng Lu – Courant Institute, NYU
- Organizer
- Haomin Zhou
Electronic structure theories, in particular Kohn-Sham density
functional theory, are widely used in computational chemistry and
material sciences nowadays. The computational cost using conventional
algorithms is however expensive which limits the application to
relative small systems. This calls for development of efficient
algorithms to extend the first principle calculations to larger
system. In this talk, we will discuss some recent progress in
efficient algorithms for Kohn-Sham density functional theory. We will
focus on the choice of accurate and efficient discretization for
Kohn-Sham density functional theory.