| PHYS | Thursday, March 29, 2007 | ||
1:20 PM-4:55 PM McCormick Place South -- Room S406A, Level 4, Oral | |||
Capturing Complexity in Physical Sciences Simulation | |||
| Liquids and Interfaces | |||
| Sponsored by: | PHYS | ||
| Cosponsored by: | COMP | ||
| Organizers: | Christopher M. Wolverton Krishnan Raghavachari | ||
| Organizer, Presiding: | William F. Schneider | ||
| 1:20 PM | 618 | Simulating retention in reversed-phase liquid chromatography J. Ilja Siepmann, Jake L. Rafferty, Li Sun, Mark R. Schure | |
| 2:00 PM | 619 | A molecular-level perspective on vibrational dynamics in liquids Christine M. Morales, Ward H. Thompson | |
| 2:40 PM | 620 | Using cluster-based simulations to calculate detailed solvation properties for complex systems Samuel J. Keasler, Bin Chen, Ricky B. Nellas | |
| 3:00 PM | Intermission | ||
| 3:15 PM | 621 | Photoinduced isomerization in complex environments from first principles Todd J. Martinez, Chaehyuk Ko, Benjamin G. Levine, Chutintorn Punwong, Aaron Virshup | |
| 3:55 PM | 622 | The enhanced harmonic Fourier Beads method with novel free energy gradient approximation for quantitative studies of rare events via reaction path ensembles Ilja V. Khavrutskii, Charles L. Brooks III | |
| 4:15 PM | 623 | Extended-molecule investigations of organic-modified metal and semiconductor surfaces Chad Risko, Tobin J. Marks, Mark Ratner | |
| 4:35 PM | 624 | Water adsorption on α-Al2O3(0001) surface: A DFT investigation Víctor A. Ranea, William F. Schneider, Ian Carmichael | |
Previous Session -- Capturing Complexity in Physical Sciences Simulation
Symposium Grid -- Division of Physical Chemistry -- Session Listing
The 233rd ACS National Meeting, Chicago, IL, March 25-29, 2007