Linear Scaling Electronic Structure Methods

April 1 - 4, 2002

Schedule


Monday, April 1, 2002

9:00 - 10:15
Richard Martin (University of Illinois)

Density Functional Theory for Interacting Electrons
Presentation (PowerPoint File)

10:30 - 11:45
Martin Mohlenkamp (Ohio University)

A Tutorial on Wavelets and their Applications
PDF Presentation

12:45 - 2:00
Trygve Helgaker (University of Oslo)

Quantum Chemistry Methods
PDF Presentation

2:00 - 3:00
Danny Neuhauser (UCLA)

Efficient Eigenvalue Methods
Presentation (PowerPoint File)

3:30 - 4:45
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)


Tuesday, April 2, 2002

9:00 - 9:45
9:45 - 10:30
Roi Baer (Hebrew University, Jerusalem, Israel)

Phase coherent molecular electronics: challenges for linear scaling
Presentation (PowerPoint File)

11:00 - 11:45
Philip Sterne (Lawrence Livermore National Laboratory)

A Finite-Element Approach for Electronic Structure Calculations
PDF Presentation

11:45 - 12:30
2:00 - 2:45
Michael J. Gillan (University College, London)

Linear Scaling DFT with b-splines

2:45 - 3:30
4:00 - 4:45

Wednesday, April 3, 2002

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
PDF Presentation

11:00 - 11:45
11:45 - 12:30
Duane Johnson (University of Illinois)

Green's function O(N) DFT method
PDF Presentation

2:00 - 2:45
2:45 - 3:30
4:00 - 4:45
4:45 - 5:30
Martin Schuetz (University of Stuttgart)

Linear scaling coupled cluster theory
PDF Presentation


Thursday, April 4, 2002

9:00 - 9:45
10:15 - 11:00
Arne Luechow (University of Duesseldorf)

Linear scaling in quantum Monte Carlo
PDF Presentation

11:00 - 11:45
Randy Hood (Lawrence Livermore National Laboratory)

Linear Scaling Quantum Monte Carlo
PDF Presentation

1:15 - 2:00