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Brookhaven National Laboratory

Institute for Theory of Strongly Correlated and Complex Systems at Brookhaven National Laboratory

 

Tentative Schedule

 

Sunday, September 13th

Welcome to the Montauk Yacht Club

7:00-9:00

Evening Reception Banquet

 

Monday, September 14th

7:30-8:20

Continental Breakfast

8:20-8:30 Wei Ku Welcome and opening comments

Session 1 - DFT Fundamentals

8:30-9:10 Weitao Yang
Fractional charges and fractional spins: DFT to many-body theory
9:10-9:50 Kieron Burke
Partition theory: A tool for understanding strongly correlated systems
9:50-10:30 Katsuhiko Higuchi
Calculation of the ground-state pair density on the basis of the computational pair density functional theory
10:30-10:40

Coffee Break

10:40-11:20 Nicole Helbig
Dissociation of molecules in density- and reduced density-matrix functional theory
11:20-12:00 Neepa Maitra
Static Correlation in Time-Dependent DFT: Symptoms and Treatments
12:00-1:30

Lunch

Session 2 - New Methods

1:30-2:10 Tonica Valla
When Dirac Fermions Become Massive: Photoemission Studies of Doped Graphene Sheets
2:10-2:50 Nicola Marzari
Electronic-structure and quantum transport in nanostructures from maximally localized Wannier functions
2:50-3:30 Tom Berlijn
Wannier Function Based First Principles Method for Disordered Systems
3:30-3:40

Coffee Break

3:40-4:20 Paolo Umari
GW quasi-particle spectra from occupied states only
4:20-5:00 Tony Gonis
Entangled States and Density Functional theory for Excited States
5:00-7:00

Poster Session

7:00-9:00

Dinner

 
 

Tuesday, September 15th

7:30-8:20

Continental Breakfast

Session 3 - New Functionals

8:30-9:10 David C. Langreth
Van der Waals interactions in density functional theory
9:10-9:50 Valentino R. Cooper
Van der Waals density functional: an appropriate exchange functional
9:50-10:30 Matteo Cococcioni
Extended LDA+U functional for covalent systems
10:30-10:40

Coffee Break

10:40-11:20 Kai-Ming Ho
Gutzwiller density functional theory
11:20-12:00 Jean-Pierre Julien
Density matrix approach for ab-initio Gutzwiller method
12:00-1:30

Lunch

Session 4 - TDDFT & Beyond

1:30-2:10 Ben Larson
Nonresonant Inelastic X-Ray Scattering Investigation of d-d Excitations in Strongly Correlated Oxides
2:10-2:50 Claudio Verdozzi
Time Dependent DFT for the Hubbard model.
2:50-3:30 Oleg Pankratov
Adiabatic electron dynamics in one-matrix functional theory
3:30-3:40

Coffee Break

3:40-4:20 Chi-Cheng Lee
TDLDA+U & beyond
4:20-5:00 Adolfo Eguiluz
Neutral electronic excitations in transition metal oxides
5:00-7:00

Discussion/Networking

7:00-9:00

Dinner

 
 

Wednesday, September 16th

7:30-8:20

Continental Breakfast

Session 5 - Strong Correlation

8:30-9:10 Gabriel Kotliar
Towards a first principles electronic structure method based on dynamical mean field theory ideas
9:10-9:50 Mark Jarrell
What's under the superconducting dome of the two-dimensional Hubbard model?
9:50-10:30 Erik Ylvisaker
Valence Transition and Charge Self-Consistency in LDA+DMFT
10:30-10:40

Coffee Break

10:40-11:20 Frank Lechermann
Many-Body approaches with DFT Hamiltonians for strongly correlated materials
11:20-12:00 Weiguo Yin
Spin Waves in Parent Copper-Oxide Superconductors: A first-principles Wannier-function analysis
12:00-1:30

Lunch

Session 6 - Applications to Correlated Materials

1:30-2:10 Christopher C. Homes
Electronic and vibrational properties of BaFe2As2 and related materials
2:10-2:50 Ryotaro Arita
Unconventional superconductivity in iron pnictides: A study based on ab initio downfolding with maximally localized Wannier functions
2:50-3:30 Wei Ku
Ferro-Orbital Order and Strong Magnetic Anisotropy in the Parent Compounds of Iron-Pnictide Superconductors
3:30-3:40

Coffee Break

3:40-4:20 Vladimir Antropov
Magnetic excitations in pnictides: LDA and GW studies.
4:20-5:00 Hai-Ping Cheng
Effects of cobalt doping and three-dimensionality in BaFe2As2
5:00-5:40 Malcolm Stocks
First principles approaches to finite temperature metallic magnetism
5:40-7:00

Discussion/Networking

7:00-9:00

Dinner

 
 

Thursday, September 17th

7:30-8:20

Continental Breakfast

Session 7 - Electronic Transport

8:30-9:10 Mark Hybertsen
Amine-Linked Single Molecule Junctions: Understanding Structure-Conductance Relations & Critically Testing Theory
9:10-9:50 Roberto Car
Kohn-Sham master equation for transport
9:50-10:30 Jeff Neaton
Charge Transport in Single-Molecule Junctions: Conductance, Contacts, and Electronic Correlation
10:30-10:40

Coffee Break

10:40-11:20 Karsten Jacobsen
Recent studies of electron transport in wires and small molecules
11:20-12:00 Qin Wu
Electron Transfer and Constrained DFT
12:00

Boxed Lunch

Departure

 

Sponsored by the Theory Institute for Strongly Correlated and Complex Systems and the Center for Functional Nanomaterials at Brookhaven National Laboratory

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Last Modified: Friday, 11-Sep-2009 20:52:50 EDT [an error occurred while processing this directive]

 
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