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Modeling the Nanoscale World
NNIN/CNF 2005 Fall Workshop
Cornell University, Ithaca, NY
October 10-12th, 2005

Final Schedule

Day 1: Nano Materials, October 10, 2005

(Sessions in Frank H. T. Rhodes Hall, Amphitheater Room 471)

8:00-8:30 Check-In: Bagels and Coffee (Room Change: Room 231, Phillips Hall)

8:30-9:00 Welcome and Orientation

9:00-10:25 Plane Wave Approaches for Density Functional Theory (David Roundy, Cornell) Slides

10:35-12:00 Muffin Tins, Green's functions, and nanoscale transport (Derek Stewart, Cornell) Slides

12:00-1:30 Lunch (Atrium)

1:30-3:00 Hands-on Session: DFT++ and ABINIT (David Roundy, Cornell)

3:00-5:00 Hands-on Session: NEGF and LMTO approaches (Derek Stewart, Cornell)



Day 2: Nano Chemistry

(Sessions in Frank H. T. Rhodes Hall, Amphitheater Room 471)

8:30-10:00 Modeling nanoscale chemistry with NWChem (Zhiyong Zhang, Stanford) Slides Part-1 Part-2

10:00-10:30: Open Babel: File Translator for Computational Chemistry (Geoff Hutchinson, Cornell) Slides

10:30-12:00 CPMD: Molecular Dynamics for the nanoscale world (Mark Tuckerman, New York University) Slides

12:00-1:00 Lunch (Atrium)

1:00-2:00 Workshop Poster Session (Atrium)

2:00-3:30 Hands-on Session: NWChem (Zhiyong Zhang, Stanford)

3:30-5:00 Hands-on Session: CPMD (Mark Tuckerman, New York University) [Tutorial] [Input_Files]


Day 3: Nano Photonics

(Sessions in the Amphitheater, Statler Hotel)

9:00-10:00 FDTD approaches for waveguides (Christina Manolatou, Cornell) Slides

10:00-11:00 Quantum Dots and 2D Electron Gases with the SETE code (Michael Stopa, Harvard) Slides

11:00-12:00 Photonic Crystal Band Structures (Derek Stewart, Cornell) Slides

12:00-1:30 Buffet Lunch at Banfi's, Statler Hotel

1:30-2:30 Hands-on Session: MIT Photonic Bands (Derek Stewart, Cornell)

2:30-4:00 Hands-on Session: SETE (Michael Stopa, Harvard)

4:00-5:00 Hands-on Session: FDTD (TBD)

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