For more information about this meeting, contact Fei Wang, Toan Nguyen, Mark Levi, Victor Nistor, Jinchao Xu, Ludmil Zikatanov.
| Title: | Linear Scaling Methods for Density Functional Theory |
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| Seminar: | CCMA Luncheon Seminar |
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| Speaker: | Carlos Garcia-Cervera, University of California, Santa Barbara |
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| Abstract Link: | http://www.math.ucsb.edu/~cgarcia/ |
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| Abstract: |
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| 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 |
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| Date: | 09 / 16 / 2013 |
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| Time: | 12:20pm - 01:30pm |
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