| Time |
Speaker |
Title |
| 12/18, 2:00 p.m. |
Hardy Gross
(MPI & KITP)
Kieron Burke
(UC Irvine & KITP) |
Charge Transfer in TDDFT: Old Problems and New Challenges[Podcast][Aud][Cam] |
| 12/18, 10:30 a.m. |
Kieron Burke
UC Irvine & KITP |
Summary of ExcitCM[Slides][Podcast][Aud][Cam] |
| 12/17, 2:00 p.m. |
All |
Challenges: Multiplets, RIXS, PES, EMCD, NMR...[Podcast][Aud][Cam] |
| 12/17, 10:30 a.m. |
Rex Godby
(Univ. York & KITP)
Christian Meisenbichler
(Univ. Leoben & KITP) |
Code sharing, organization, I/O |
| 12/16, 2:00 p.m. |
TBA |
|
| 12/16, 10:30 a.m. |
Volker Blum
Kieron Burke, Francois Gigy |
Large Scale Computing, Speedup, Scaling |
| 12/15, 2:00 p.m. |
Stephan Sagmeister
Mark van Schilfgaarde, Xingo Ren, Hong Jiang, John Rehr & KITP |
Excited States |
| 12/15, 10:30 a.m. |
Francois Gygi
UC Davis |
Scalable Algorithms for Electronic Structure Calculations[Podcast][Aud][Cam] |
| 12/14, 2:00 p.m. |
John Rehr
(Univ. Washington & KITP)
Claudia Ambrosch-Draxl
(Univ. Leoben & KITP)
Volker Blum
(MPG & KITP) |
Discussion: Which Code to Use? Best of ...[Podcast][Aud][Cam] |
| 12/14, 10:30 a.m. |
Filipp Furche
(UC Irvine)
Risto Nieminen
(Helsinki Tech.) |
The Fastest RPA in the West[Podcast][Aud][Cam] |
| 12/11, 10:30 a.m. |
All |
Discussion on "Impurity Orbitals in Materials" |
| 12/10, 10:30 a.m. |
Hardy Gross
MPI & KITP |
Reduced-density-matrix-functional Theory: Towards an ab-initio Description of Strongly Correlated Systems[Slides][Podcast][Aud][Cam] |
| 12/08, 2:00 p.m. |
Ann Mattsson
Sandia National Labs & KITP |
Discussion on AM05 Functional[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] |
| 12/03, 10:30 a.m. |
Kai-Ming Ho
ISU |
Beyond LDA - The Gutzwiller Approach[Slides][Podcast][Aud][Cam] |
| 12/02, 10:30 a.m. |
Mark van Schilfgaarde
ASU |
Quasiparticle Self-consistency[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] |
| 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] |
| 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] |
| 11/24, 2:00 p.m. |
Kieron Burke
UC Irvine & KITP |
The Unreasonable Accuracy of Asymptotic Expansions: Why Density Functional Theory Works[Slides][Podcast][Aud][Cam] |
| 11/24, 10:30 a.m. |
Timo Thonhauser
Wake Forest University & KITP |
Berry-phase Modern Theory of Orbital Magnetization[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] |
| 11/23, 10:30 a.m. |
Neepa Maitra
CUNY |
Some Challenges in TDDFT and Some Possible Solutions in Phase-space[Slides][Podcast][Aud][Cam] |
| 11/20, 2:00 p.m. |
All |
General Discussion on Theoretical Spectroscopy |
| 11/20, 10:30 a.m. |
Gian-Marco Rignanese
Universite Catholique de Louvain & KITP |
Vibrational Spectroscopy[Slides][Podcast][Vid][Aud][Cam] |
| 11/19, 2:00 p.m. |
Wei Ku
BNL & KITP |
Local Approach for Excitations in Strongly Correlated Materials: Frenkel Excitons and their Propagation[Slides][Podcast][Aud][Cam] |
| 11/19, 10:30 a.m. |
Werner Hanke
ITPA & KITP |
Superconductivity in the Iron Pnictides: from DFT to a Functional-Renormalization-Group Study[Slides][Podcast][Aud][Cam] |
| 11/18, 10:30 a.m. |
Paolo Umari
SISSA & KITP |
Non Resonant Hyper-Raman Spectra From First Principles: Application to Vitreous Silica[Podcast][Aud][Cam] |
| 11/17, 2:00 p.m. |
All |
Discussion: TDDFT Functionals for Spectroscopy of Finite Systems[Slides][Podcast][Aud][Cam] |
| 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] |
| 11/16, 2:00 p.m. |
Ulf von Barth
Lund University & KITP |
Discussion: "Guiding Principles" in Theoretical Spectroscopy |
| 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] |
| 11/13, 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] |
| 11/12, 2:15 p.m. |
Rudolph Magyar
Sandia & KITP |
Exact Solution to 1D Hydrogen, Hubbard Model, and TDDFT[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, 10:30 a.m. |
Robert van Leeuwen
Univ. Jyvaskyla & KITP |
Correlated Time-Dependent Transport with the Kadanoff-Baym Equations[Slides][Podcast][Aud][Cam] |
| 11/11, 2:00 p.m. |
Kris Delaney
UCSB |
15 min on "GW Calculations: Total Energies and Input Dependence" Discussion: QM/MM |
| 11/10, 2:00 p.m. |
Paolo Carloni
SISSA & KITP |
First Principle Electronic Structure Calculations for Molecular and Cell Biology: a Perspective from Trieste[Slides][Podcast][Aud][Cam] |
| 11/10, 10:30 a.m. |
Walter Thiel
MPI & KITP |
QM/MM Methods: Current Developments and Applications[Slides][Podcast][Aud][Cam] |
| 11/09, 2:00 p.m. |
Carlos Garcia-Cervera
UCSB |
Asymptotic-Based Sublinear Scaling Methods for Electronic Structure Computations of Materials[Slides][Podcast][Aud][Cam] |
| 11/2-6 |
Conference: |
From Basic Concepts to Real Materials |
| 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] |
| 10/29, 2:00 p.m. |
Carsten Ullrich
Univ. Missouri & KITP |
Tutorial: TDDFT for Excitations in Finite and Extended Systems[Slides][Podcast][Aud][Cam] |
| 10/29, 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] |
| 10/28, 2:00 p.m. |
Kenneth Jordan
Univ. Pittsburgh & KITP |
Dispersion Interactions in Water Clusters[Slides][Podcast][Aud][Cam] |
| 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] |
| 10/27, 2:00 p.m. |
Patrick Rinke
UCSB |
On LDA+U, GW, and F-Electron Oxides |
| 10/23, 2:00 p.m. |
Roberto Car
Princeton & KITP |
Anharmonicity[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, 10:30 a.m. |
Carsten Ullrich
Univ. Missouri & KITP |
Spin Coulomb Drag[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] |
| 10/22, 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] |
| 10/21, 10:30 a.m. |
Giulia Galli
UC Davis |
Thermal Transport[Slides][Podcast][Aud][Cam] |
| 10/20, 2:00 p.m. |
Stefan Bluegel
FZ-Juelich & KITP |
Spintronics |
| 10/19, 10:30 a.m. |
Kieron Burke
UC Irvine & KITP |
Tutorial on DFT for Molecular Electronics[Slides][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] |
| 10/09, 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] |
| 10/08, 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] |
| 10/07, 10:30 a.m. |
Lubos Mitas
NCSU & KITP |
Electronic Structure Quantum Monte Carlo: Pfaffians and Many-Body Nodes of Ground and Excited States[Slides][Podcast][Aud][Cam] |
| 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 |
