| 8:00-8:45 | Continental Breakfast. |
| 8:45-9:00 | Welcome: Jeff Nichols, Computer Science and Mathematics Division Director |
| 9:00-9:45 |
Goals and
Objectives: Peter Cummings
Project background and overview. Goals for kick-off meeting. Discussion. |
| 9:45-10:30 | Electron Transport: Vincent
Meunier An introduction to electron transport and the relevant scientific and computational issues |
| 10:30-11:00 | Break |
| 11:00-11:30 | Wavelets based
electronic structure approach: Robert Harrision/Greg Beylkin An O(N) wavelet based approach for electronic structure method |
| 11:30-12:15 | Electron Transport: Jerry
Bernholc Multigrid approach toward O(N) electronic structure method and the Kelydish Green's function method for electronic transport |
| 12:15-1:15 | Lunch |
| 1:15-2:00 | Scale-Spanning Methods I: Weinan
E/Tim Schulze Overview of methods and past work |
| 2:00-2:15 | Scale-Spanning Methods
II:Phani Kumar Brief overview of methods and past work |
| 2:15-3:00 | Molecular Dynamics:
Peter Cummings/Yongsheng Leng/Sharon Glotzer Modeling Molecular Electronics with Combined Ab initio and Classical Simulations Previous work |
| 3:00-3:30 |
Break |
| 3:30-5:30 |
Formulate long term goals
and objectives |
| 6:30 |
Dinner: Bleu Hound |
| 8:00-8:45 |
Continental
Breakfast |
| 8:45-10:15 |
Formulate long term plans and milestones |
| 10:15-10:30 |
Break |
| 10:30-12:00 |
Wrap up |
| 12:00-1:30 |
Buffet Lunch |
| 1:30-2:30 |
Tour of Center for
Computational Sciences Facilities |