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, Ludmil Zikatanov.

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