|
|
Monday, April 01, 2002
|
Morning Session
|
|
|
|
8:30 - 8:50
|
Check-In/Breakfast (Hosted by IPAM)
|
|
8:50 - 9:00
|
Welcome and Opening Remarks
|
|
9:00 - 10:15
|
Richard Martin (University of Illinois)
"Density Functional Theory for Interacting Electrons"
Presentation (PowerPoint File)
|
|
10:15 - 10:30
|
Break
|
|
10:30 - 11:45
|
Martin Mohlenkamp (Ohio University)
"A Tutorial on Wavelets and their Applications"
Presentation (PDF File)
|
|
11:45 - 12:45
|
Lunch (on your own)
|
Afternoon Session
|
|
|
|
12:45 - 2:00
|
Trygve Helgaker (University of Oslo)
"Quantum Chemistry Methods"
Presentation (PDF File)
|
|
2:00 - 3:00
|
Danny Neuhauser (UCLA)
"Efficient Eigenvalue Methods"
Presentation (PowerPoint File)
|
|
3:00 - 3:30
|
Coffee Break
|
|
3:30 - 4:45
|
Tanja Füllenbach (FhG-SCAI)
"Tutorial on Multigrid and Local Refinement Methods"
Presentation (PDF File)
|
|
4:45 - 5:45
|
Martin Head-Gordon (University of California at Berkeley)
"Fast methods for coulomb and exchange interactions in DFT calculation"
Presentation (PowerPoint File)
|
|
5:45 - 7:00
|
Wine/Cheese Reception (Hosted by IPAM)
|
|
|
Tuesday, April 02, 2002
|
|
|
Morning Session
|
|
|
|
8:30 - 9:00
|
Continental Breakfast
|
|
9:00 - 9:45
|
Jerry Bernholc (North Carolina State University)
"Multigrid DFT calculations, optimized localized orbitals and nearly O(N) calculations of quantum transport"
Presentation (PDF File)
|
|
9:45 - 10:30
|
Roi Baer (Hebrew University, Jerusalem, Israel)
"Phase coherent molecular electronics: challenges for linear scaling"
Presentation (PowerPoint File)
|
|
10:30 - 11:00
|
Coffee Break
|
|
11:00 - 11:45
|
Philip Sterne (Lawrence Livermore National Laboratory)
"A Finite-Element Approach for Electronic Structure Calculations"
Presentation (PDF File)
|
|
11:45 - 12:30
|
Stefan Goedecker (CEA DRFMC/SP2M)
"Extensions of the traditional linear scaling concepts"
Presentation (PDF File)
|
|
12:30 - 2:00
|
Lunch (on your own)
|
Afternoon Session
|
|
|
|
2:00 - 2:45
|
Michael J. Gillan (University College, London)
"Linear Scaling DFT with b-splines"
|
|
2:45 - 3:30
|
Peter Haynes (Cambridge University)
"Linear-scaling DFT using localised spherical-waves and real-space grids"
Presentation (PDF File)
|
|
3:30 - 4:00
|
Coffee Break
|
|
4:00 - 4:45
|
Matt Challacombe (Los Alamos National Laboratory)
"An Irregular Approach to Parallelism in Linear Scaling Quantum Chemistry"
Presentation (PowerPoint File)
|
|
4:45 - 5:45
|
Open Discussion
|
Wednesday, April 03, 2002
|
|
|
Morning Session
|
|
|
|
8:30 - 9:00
|
Continental Breakfast
|
|
9:00 - 9:45
|
Yan Wang (University of British Columbia, Vancouver)
"O(M lnM) Orbital-Free Density Functional Theory"
|
|
9:45 - 10:30
|
Achi Brandt (Weizmann Institute of Science)
"Systematic upscaling: linear complexity and beyond"
Presentation (PDF File)
|
|
10:30 - 11:00
|
Coffee Break
|
|
11:00 - 11:45
|
David Mazziotti (Princeton University)
"Linear Scaling and the 1,2-Contracted Schrodinger Equation"
|
|
11:45 - 12:30
|
Duane Johnson (University of Illinois)
"Green's function O(N) DFT method"
Presentation (PDF File)
|
|
12:30 - 2:00
|
Lunch (on your own)
|
Afternoon Session
|
|
|
|
2:00 - 2:45
|
Danny Sorensen (Rice University)
"Implicitly Restarted Krylov Projection Methods for Large Eigenvalue Problems"
|
|
2:45 - 3:30
|
Gustavo Scuseria (Rice University)
"Linear scaling DFT, Hartree-Fock, MP2 and coupled cluster theories"
|
|
3:30 - 4:00
|
Coffee Break
|
|
4:00 - 4:45
|
Derek Walter (UCLA)
"Weak-Pairs Pseudospectral Multireference Configuration Interaction"
|
|
4:45 - 5:30
|
Martin Schuetz (University of Stuttgart)
"Linear scaling coupled cluster theory"
Presentation (PDF File)
|
|
5:30 - 5:45
|
Social Time (Beverages available)
|
|
5:45 - 7:00
|
Dinner (Hosted by IPAM)
|
Thursday, April 04, 2002
|
|
|
Morning Session
|
|
|
|
8:30 - 9:00
|
Continental Breakfast
|
|
9:00 - 9:45
|
Oren Livne (Weizmann Institute of Science)
"O(NlnN) Calculation of N Eigenfunctions of Differential Operators"
Presentation (PDF File)
|
|
9:45 - 10:15
|
Coffee Break
|
|
10:15 - 11:00
|
Arne Luechow (University of Duesseldorf)
"Linear scaling in quantum Monte Carlo"
Presentation (PDF File)
|
|
11:00 - 11:45
|
Randy Hood (Lawrence Livermore National Laboratory)
"Linear Scaling Quantum Monte Carlo"
Presentation (PDF File)
|
|
11:45 - 1:15
|
Lunch (on your own)
|
Afternoon Session
|
|
|
|
1:15 - 2:00
|
Weitao Yang (Duke University)
"Linear Scaling Methods and Applications with the Divide-and-Conquer Method and with Localized Orbitals"
Presentation (PDF File)
|
|
2:00 - 3:00
|
Discussions and Conclusion
|