For more information about this meeting, contact Fei Wang, Toan Nguyen, Stephanie Zerby, Mark Levi, Victor Nistor, Jinchao Xu.
|Title:||Linear Scaling Methods for Density Functional Theory|
|Seminar:||CCMA Luncheon Seminar|
|Speaker:||Carlos Garcia-Cervera, University of California, Santa Barbara|
|Abstract: Density Functional Theory (DFT) provides a way to carry out realistic computations of molecular systems at the quantum level. Typical approaches scale as N^3, where N is the number of electrons in the system. I will give an introduction to DFT, and describe some of the approaches developed for linear scaling algorithms. I will also describe our own approach, which is based on a subspace iteration, and takes advantage of the localization properties of nonorthogonal wave functions.|
Room Reservation Information
|Date:||09 / 16 / 2013|
|Time:||12:20pm - 01:30pm|