| COMP | Wednesday, August 22, 2007 | ||
9:00 AM-12:10 PM BCEC -- 160B, Oral | |||
Bold Predictions in Theoretical Chemistry: A Symposium in Honor of One of the Boldest, Bill Goddard, on the Occasion of his 70th Birthday | |||
| Molecular Dynamics | |||
| Organizers: | Emily A. Carter Mark S. Gordon | ||
| Presiding: | Christian Mailhiot | ||
| 9:00 AM | 357 | Coarse grain models for self-assembling systems Michael L. Klein | |
| 9:35 AM | 358 | Multiscale modeling of deformation and fracture: Integrating chemistry and mechanics Markus J. Buehler | |
| 10:10 AM | 359 | Atomic-level control of chemical doping for nanoelectronics through first principles modeling Gyeong S Hwang | |
| 10:45 AM | Intermission | ||
| 11:00 AM | 360 | Hamiltonian and non-Hamiltonian formulations for molecular dynamics simulations in materials chemistry Tahir Cagin | |
| 11:35 AM | 361 | Multimillion atom simulations of nanorods, dynamics of wing cracks, hypervelocity impact damage, and planar shock on RDX Priya Vashishta, Rajiv K. Kalia, Aiichiro Nakano | |
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Symposium Grid -- Division of Computers in Chemistry -- Session Listing
The 234th ACS National Meeting, Boston, MA, August 19-23, 2007