| PHYS | Sunday, March 23, 2003 | ||
8:30 AM-12:10 PM Convention Center -- Room 284,Oral | |||
New Electronic Structure Methods: From Molecules to Materials | |||
| Large-Scale Methods and Calculations | |||
| Organizer, Presiding: | Martin P. Head-Gordon | ||
| Organizer: | Emily A. Carter | ||
| 8:30 AM | 7 | Linear scaling self-consistent-field theory: From molecules to materials Matt Challacombe | |
| 9:10 AM | 8 | Electronic structure studies of semiconductor surface chemistry Krishnan Raghavachari, Mathew D. Halls | |
| 9:50 AM | 9 | Combining plane waves and Gaussians in accurate molecular calculations Peter Pulay, László Füsti-Molnár, Jon Baker | |
| 10:30 AM | Intermission | ||
| 10:50 AM | 10 | Linear scaling quantum-chemistry methods for periodic systems: Applications to polymers, surfaces, and solids Gustavo E Scuseria | |
| 11:30 AM | 11 | Linear scaling indirect diagonalization methods in density functional theory calculations Yihan Shao, Chandra Saravanan, Martin Head-Gordon | |
| 11:50 AM | 12 | Data parallel computation of the exchange-correlation matrix Chee Kwan Gan, Matt Challacombe | |
New Electronic Structure Methods: From Molecules to Materials -- Next Session
Symposium Grid -- Division of Physical Chemistry -- Session Listing
The 225th ACS National Meeting, New Orleans, LA, March 23-27, 2003