KITP Program: Excitations in Condensed Matter: From Basic Concepts to Real Materials (October 5 - December 18, 2009)
Coordinators: Claudia Ambrosch-Draxl, Kieron Burke, Roberto Car, Matthias Scheffler

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Time Speaker Title
10/05, 12:15 p.m. Kieron Burke
UC Irvine & KITP
The Breadth and Depth of Modern Electronic Structure Theory[Podcast][Aud][Cam]
KITP Blackboard Lunch
10/07, 10:30 a.m. Lubos Mitas
Electronic Structure Quantum Monte Carlo: Pfaffians and Many-Body Nodes of Ground and Excited States[Slides][Podcast][Aud][Cam]
10/08, 10:30 a.m. Suchi Guha
Univ. of Missouri & KITP
Can Theory Help in Understanding Photoexcitations in Organic Semiconductors? An Experimentalist's Perspective.[Slides][Podcast][Aud][Cam]
10/09, 10:30 a.m. Matthias Scheffler
Fritz-Haber Inst. & KITP
At the Fifth Rung of Jacob's Ladder: Closer to Heaven or to Hell?[Podcast][Aud][Cam]
10/15, 2:00 p.m. Marília Caldas
Univ. Sao Paulo & KITP
Challenges in Understanding Defects in Organic Materials: A Theorist View, Focus on Conjugated Polymers[Slides][Podcast][Aud][Cam]
10/19, 10:30 a.m. Kieron Burke
UC Irvine & KITP
Tutorial on DFT for Molecular Electronics[Slides][Podcast][Aud][Cam]
10/20, 2:00 p.m. Stefan Bluegel
FZ-Juelich & KITP
10/21, 10:30 a.m. Giulia Galli
UC Davis
Thermal Transport[Slides][Podcast][Aud][Cam]
10/22, 10:30 a.m. Stefan Kurth
University del Pais Vasco & KITP
Multiple Steady States and Derivative Discontinuities in Time-dependent Transport[Slides][Podcast][Aud][Cam]
10/22, 2:00 p.m. Rex Godby
Univ. York & KITP
GW-like Approaches to Quantum Transport[Slides][Podcast][Aud][Cam]
10/23, 10:30 a.m. Carsten Ullrich
Univ. Missouri & KITP
Spin Coulomb Drag[Slides][Podcast][Aud][Cam]
10/23, 2:00 p.m. Jose Pitarke
Univ. Pais Vasco & KITP
Some Lessons from the KS Exact Exchange Potential at Metal Surfaces[Slides][Podcast][Aud][Cam]
10/23, 2:00 p.m. Roberto Car
Princeton & KITP
10/27, 2:00 p.m. Patrick Rinke
On LDA+U, GW, and F-Electron Oxides
10/28, 10:30 a.m. Stefan Kurth
University del Pais Vasco & KITP
Overhauser's Spin Density Wave in Hartree-Fock, RDMFT, and Exact-Exchange Spin-DFT[Slides][Podcast][Aud][Cam]
10/28, 2:00 p.m. Kenneth Jordan
Univ. Pittsburgh & KITP
Dispersion Interactions in Water Clusters[Slides][Podcast][Aud][Cam]
10/29, 10:30 a.m. John Rehr
Univ. Washington & KITP
Real-Space Green's Function Approach for Electronic, Vibrational and Optical Properties[Slides][Podcast][Aud][Cam]
10/29, 2:00 p.m. Carsten Ullrich
Univ. Missouri & KITP
Tutorial: TDDFT for Excitations in Finite and Extended Systems[Slides][Podcast][Aud][Cam]
10/30, 10:30 a.m. Franca Manghi
Univ. Modena & KITP
E-E Interaction in Strongly - and Not So Strongly Correlated Materials[Slides][Podcast][Aud][Cam]
11/2-6 Conference: From Basic Concepts to Real Materials
11/09, 2:00 p.m. Carlos Garcia-Cervera
Asymptotic-Based Sublinear Scaling Methods for Electronic Structure Computations of Materials[Slides][Podcast][Aud][Cam]
11/10, 10:30 a.m. Walter Thiel
QM/MM Methods: Current Developments and Applications[Slides][Podcast][Aud][Cam]
11/10, 2:00 p.m. Paolo Carloni
First Principle Electronic Structure Calculations for Molecular and Cell Biology: a Perspective from Trieste[Slides][Podcast][Aud][Cam]
11/11, 2:00 p.m. Kris Delaney
15 min on "GW Calculations: Total Energies and Input Dependence" Discussion: QM/MM
11/12, 10:30 a.m. Robert van Leeuwen
Univ. Jyvaskyla & KITP
Correlated Time-Dependent Transport with the Kadanoff-Baym Equations[Slides][Podcast][Aud][Cam]
11/12, 2:00 p.m. Hans Mooij
Delft Univ. & KITP
2D Crystals of Fabricated Quantum Objects?[Podcast][Aud][Cam]
11/12, 2:15 p.m. Rudolph Magyar
Sandia & KITP
Exact Solution to 1D Hydrogen, Hubbard Model, and TDDFT[Slides][Podcast][Aud][Cam]
11/13, 10:30 a.m. Ulf von Barth
Lund Univ. & KITP
Correlation Energy Functional and Potential from Time-Dependent Exact Exchange Theory[Slides][Podcast][Aud][Cam]
11/16, 10:30 a.m. Robert van Leeuwen
University of Jyvaskyla & KITP
Conserving Approximations in TDDFT: Connections to Many-body Perturbation Theory[Slides][Podcast][Aud][Cam]
11/16, 2:00 p.m. Ulf von Barth
Lund University & KITP
Discussion: "Guiding Principles" in Theoretical Spectroscopy
11/17, 10:30 a.m. John Rehr
University of Washington & KITP
Real-time Approaches for Linear and Nonlinear Optical Response[Slides][Podcast][Aud][Cam]
11/17, 2:00 p.m. All Discussion: TDDFT Functionals for Spectroscopy of Finite Systems[Slides][Podcast][Aud][Cam]
11/18, 10:30 a.m. Paolo Umari
Non Resonant Hyper-Raman Spectra From First Principles: Application to Vitreous Silica[Podcast][Aud][Cam]
11/19, 10:30 a.m. Werner Hanke
Superconductivity in the Iron Pnictides: from DFT to a Functional-Renormalization-Group Study[Slides][Podcast][Aud][Cam]
11/19, 2:00 p.m. Wei Ku
Local Approach for Excitations in Strongly Correlated Materials: Frenkel Excitons and their Propagation[Slides][Podcast][Aud][Cam]
11/20, 10:30 a.m. Gian-Marco Rignanese
Universite Catholique de Louvain & KITP
Vibrational Spectroscopy[Slides][Podcast][Vid][Aud][Cam]
11/20, 2:00 p.m. All General Discussion on Theoretical Spectroscopy
11/23, 10:30 a.m. Neepa Maitra
Some Challenges in TDDFT and Some Possible Solutions in Phase-space[Slides][Podcast][Aud][Cam]
11/23, 2:00 p.m. Tom Berlijn
Stony Brook & KITP
Wannier Function Based First-Principles Method for Disordered Systems[Slides][Podcast][Aud][Cam]
11/24, 10:30 a.m. Timo Thonhauser
Wake Forest University & KITP
Berry-phase Modern Theory of Orbital Magnetization[Slides][Podcast][Aud][Cam]
11/24, 2:00 p.m. Kieron Burke
UC Irvine & KITP
The Unreasonable Accuracy of Asymptotic Expansions: Why Density Functional Theory Works[Slides][Podcast][Aud][Cam]
11/25, 10:30 a.m. Carla Molteni
King's College & KITP
Modelling Excited States in Biological Chromophore: from TDDFT to GW+BSE[Slides][Podcast][Aud][Cam]
11/30, 10:30 a.m. Hong Jiang
Peking Univ. & KITP
Localized and Itinerant States in a Unified Picture beyond DFT[Slides][Podcast][Aud][Cam]
12/01, 10:30 a.m. Sergey Savrasov
UC Davis
Electronic Structure Calculations with Dynamical Mean Field Theory[Slides][Podcast][Aud][Cam]
12/02, 10:30 a.m. Mark van Schilfgaarde
Quasiparticle Self-consistency[Podcast][Aud][Cam]
12/03, 10:30 a.m. Kai-Ming Ho
Beyond LDA - The Gutzwiller Approach[Slides][Podcast][Aud][Cam]
12/07, 2:00 p.m. Ann Mattsson
Sandia National Labs & KITP
The Subsystem Functional Scheme: The Armiento-Mattsson 2005 (AM05) Functional and Beyond[Slides][Podcast][Aud][Cam]
12/08, 2:00 p.m. Ann Mattsson
Sandia National Labs & KITP
Discussion on AM05 Functional[Podcast][Aud][Cam]
12/10, 10:30 a.m. Hardy Gross
Reduced-density-matrix-functional Theory: Towards an ab-initio Description of Strongly Correlated Systems[Slides][Podcast][Aud][Cam]
12/11, 10:30 a.m. All Discussion on "Impurity Orbitals in Materials"
12/14, 10:30 a.m. Filipp Furche
(UC Irvine)
Risto Nieminen
(Helsinki Tech.)
The Fastest RPA in the West[Podcast][Aud][Cam]
12/14, 2:00 p.m. John Rehr
(Univ. Washington & KITP)
Claudia Ambrosch-Draxl
(Univ. Leoben & KITP)
Volker Blum
Discussion: Which Code to Use? Best of ...[Podcast][Aud][Cam]
12/15, 10:30 a.m. Francois Gygi
UC Davis
Scalable Algorithms for Electronic Structure Calculations[Podcast][Aud][Cam]
12/15, 2:00 p.m. Stephan Sagmeister
Mark van Schilfgaarde, Xingo Ren, Hong Jiang, John Rehr & KITP
Excited States
12/16, 10:30 a.m. Volker Blum
Kieron Burke, Francois Gigy
Large Scale Computing, Speedup, Scaling
12/16, 2:00 p.m. TBA
12/17, 10:30 a.m. Rex Godby
(Univ. York & KITP)
Christian Meisenbichler
(Univ. Leoben & KITP)
Code sharing, organization, I/O
12/17, 2:00 p.m. All Challenges: Multiplets, RIXS, PES, EMCD, NMR...[Podcast][Aud][Cam]
12/18, 10:30 a.m. Kieron Burke
UC Irvine & KITP
Summary of ExcitCM[Slides][Podcast][Aud][Cam]
12/18, 2:00 p.m. Hardy Gross
Kieron Burke
(UC Irvine & KITP)
Charge Transfer in TDDFT: Old Problems and New Challenges[Podcast][Aud][Cam]
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