| Name |
Affiliation |
Title of Talk
(Click on the title to open the abstract in pdf format) |
| Walter Kohn |
UCSB |
Opening Remarks |
| John Perdew |
Tulane |
Strategies for the
Development of New Density Functionals for the Exchange-Correlation
Energy
Poster: Surface Energy of Jellium:
Was Density Functional Theory Right All Along? |
| Michael Teter |
Cornell |
Opening of Sessions on Deficiencies of Current Exchange-correlation
Functionals |
| Ann Mattsson |
Sandia National Laboratories |
Subsystem Functionals
in Density Functional Theory
Poster: Correcting for the
Surface Intrinsic Error in Calculations Done with Current Approximations
of the Exchange-correlation Functional in Density Functional Theory |
| William Goddard III |
California Institute of Technology |
Applications of DFT
to Chemical, Materials, and Biological Systems: Successes, Failures,
Ideas for Improvements |
| Anne Chaka |
NIST |
How general are hybrid
functionals? |
| Dwight Jennison |
Sandia National Laboratories |
The Importance of
Surface Self-Energy in Metal/Metal-Oxide Adhesion |
| Peter Feibelman |
Sandia National Laboratories |
|
| Thomas Mattsson |
Sandia National Laboratories |
Calculating the
Vacancy Formation Energy in Metals: Pt, Pd and Mo |
| Richard Martin |
Los Alamos National Laboratory |
Experiences with Hybrid
DFT and Inorganic Materials |
| Klaus W. Capelle |
Universidade de Sao Paulo, Brazil |
Density-functional Theory for the
Hubbard Model: Numerical Results for the Luttinger Liquid And Mott
Insulator
Poster: On the Calculation
of Many-body Wave Functions and Energies from Density-functional
Theory
|
| Peter Schultz |
Sandia National Laboratories |
Poster: SeqQuest |
| Alan Wright |
Sandia National Laboratories |
Poster: Socorro: A
Modular Extensible Framework for Electronic-structure Calculations
|
| Kieron Burke |
Rutgers University |
Polarization without Surfaces:
The Need for Current-density Functional Theory |
| Michael Springborg |
University of Saarland, Germany |
Phase-space
Functions and Energy Densities |
| Michael Desjarlais |
Sandia National Laboratories |
Poster: Electrical
and Optical Properties of Dense Metal Plasmas and Liquids |
| Ron Brightwell |
Sandia National Laboratories |
Poster: Sandia's
Computational Plant |
| Stephan Kuemmel |
Tulane University |
A Simple Way to Construct
the Exact Optimized Effective Potential for Orbital Functionals, Including
Exact Exchange |
| Rickard Armiento |
Royal Institute of Technology, Sweden |
|
| Qin Wu |
Duke University |
Poster: Empirical Correction
to Density Functional Theory for Van der Waals
Poster: Density Functional Theory Calculations
with Correct Long Range Potentials |
| Yonghoon Kim |
California Institute of Technology |
Optical Spectrum
of Semiconductors by Time-dependent Density-funcitonal Theory with
the Exact-exchange Method |
| Mel Levy |
North Carolina A&T State University |
Correlation Potentials
from Integral Formulation of Density Functional Perturbation Theory |
| Peter Kratzer |
Fritz-Haber-Institut, Germany |
Performance of Density
Functionals Compared to the Quantum Monte Carlo Method: Case Study
of H2 Adsorptions on Silicon |
| Jianmin Tao |
Tulane |
Poster: Construction of a New Meta-Generalized
Gradient Approximation
|
| Gustavo E. Scuseria |
Rice University |
Local Hybrid Functionals and
Hybrid Functionals from Screened Coulomb Potentials
He will also share from his experience from the CECAM
workshop that he organized in June.
|
| Susan Rempe |
Sandia National Laboratories |
Poster: Density Functional
Theory Applied to Liquids |
| Weitao Yang |
Duke University |
Exchange-Correlation Potentials:
A New Method for Calculating the Exchange Correlation Potentials from
Functionals of Orbitals and for Performing Conventional Density Functional
Calculations with Correct Long Range Potentials |
| Anders Niklasson |
Los Alamos National Laboratories |
|
| Matt Challacombe |
Los Alamos National Laboratories |
|
