PSU Mark
Eberly College of Science Mathematics Department

Meeting Details

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 Link:http://www.math.ucsb.edu/~cgarcia/
Abstract:
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

Room Number:MB114
Date:09 / 16 / 2013
Time:12:20pm - 01:30pm