Go to current week.


Date
Time
Place*
Speaker
Title
Comments, Links,...
Mon, Oct 5
12:15pm
Aud
Kieron Burke
The Breadth and Depth of Modern Electronic Structure Theory
Blackboard Lunch Seminar; all scientists welcome.

2:00 pm
SSR
Coordinators
Organizational Meeting
All interested.
Tue, Oct 6
Noon

ALL
Lunch at the cafe across from KITP
All interested

2pm
SSR
ALL
Another organizational meeting
All (interested or not).

Wed, Oct 7
10:30
Aud
Lubos Mitas
Electronic structure quantum Monte Carlo:
pfaffians and many-body nodes of ground and excited states

All interested

2pm
FR
ALL
Discusson: Gaps, EXX, & hybrids
All (interested or not).

Thu, Oct 8
10:30am
Aud
Suchismita Guha
Can theory help in understanding photoexcitations in organic semiconductors? An experimentalist's perspective.
Abstract

2.30pm
Aud

Discussion: van der Waals interactions

Fri, Oct 9
10:30am
Aud
Matthias Scheffler
At the fifth rung of Jacob's ladder: closer to heaven or to hell?


1pm
SSR

More van der Waals and open discussion


Date
Time
Place*
Speaker
Title
Comments, Links,...
Mon, Oct 12
2pm
SSR
ALL
Discussion: Oxides
All interested
Tue, Oct 13
2pm
SSR
ALL interested
Discussion: Relationships among methods
All interested
Wed, Oct 14
2pm
SSR
All
More discussion about relationships
All interested
Thu, Oct 15
2pm
Aud
Marilia Caldas
Challenges in understanding defects in organic materials:
a theorist view, focus on conjugated polymers
Caldas-KITPformal2009.pdf
Fri, Oct 16
2pm
SSR
ALL interested
Open
All interested

4pm
ESB 1001
Patrick Rinke
Theoretical Spectroscopy - getting to know your favorite group-III-nitride
MD/MRL colloquium

Date
Time
Place*
Speaker
Title
Comments, Links,...

Mon, Oct 19
10:30 am
Aud
Kieron Burke
Tutorial on DFT for molecular electronics
Informal talk

2pm
SSR
ALL
Discussion (open)
All
Tue, Oct 20
2pm
SSR
Stefan Blügel
Spintronics
Informal talk
Wed, Oct 21
10:30 am
Aud
Giulia Galli
Thermal Transport
Formal talk

2pm
SSR
ALL
Discussion: Thermal Transport and related
All interested
Thu, Oct 22
10:30 am
Aud
Stefan Kurth
Multiple steady states and derivative discontinuities in time-dependent
transport

Formal talk

2pm
Aud
Rex Godby
GW-like approaches to quantum transport
Informal talk
Fri, Oct 23
10:30 am
Aud
Carsten Ullrich
Spin Coulomb Drag
Informal talk

2pm
SSR
Txema Pitarke,
Roberto Car
Some lessons from the KS exact exchange potential at metal surfaces
Anharmonicity
A few slides (15 minutes approx) for discussion

Date
Time
Place*
Speaker
Title
Comments, Links,...
Mon, Oct 26
2pm
SSR
ALL
Discussion:Some more on self-consistent GW
(some slides from Rex Godby; Kris Delaney [UCSB]; Lucia Reining; Ferdi Aryasetiawan; any others?)
Discussion
Tue, Oct 27
10:30
SSR
Ferdi, Kris
GW and self-consistency?
discussion continued
Discussion

2pm
SSR
Patrick Rinke
On LDA+U, GW, and f-electron oxides
Informal talk
Wed, Oct 28
10:30pm
SSR
Stefan Kurth
Overhauser's spin density wave in Hartree-Fock, RDMFT, and exact-exchange spin-DFT
Informal talk

2pm
SSR
Ken Jordan
Dispersion interactions in water clusters

Thu, Oct 29
10:30 am
Aud
John Rehr
Real-space Green's function approach for electronic, vibrational and optical properties
Formal talk

2pm
Aud
Carsten Ullrich
Tutorial: TDDFT for excitations in finite and extended systems
Informal talk
Fri, Oct 30
10:30 am
Aud
Franca Manghi
e-e interaction in strongly - and not so strongly correlated materials
informal talk

2pm
SSR
ALL
Open discussion
Lucia Reining: 15 min on "reduced quantities"
All interested

The week Nov 02 - Nov 06, 2009 will see the core conference of the program.

The full schedule of KITP events can be found here.

Date
Time
Place*
Speaker
Title
Comments, Links,...
Mon, Nov 9
2pm
SSR
ALL
Organizational meeting and Carlos Garcia-Cervera Asymptotic-based sublinear scaling methods for electronic structure computations of materials
Informal talk
Tues Nov 10
10:30
Aud
Walter Thiel
QM/MM Methods: Current Developments and Applications
formal talk

2pm
SSR
Paolo Carloni
First Principle Electronic Structure Calculations for Molecular and Cell Biology: a Perspective from Trieste
Informal
Weds, Nov 11
2pm
SSR
All
QM/MM discussion

Thu, Nov 12
10:30
Aud
Robert van Leeuwen
Correlated time-dependent transport with the Kadanoff-Baym equations
Formal talk

2pm
Aud
Rudy Magyar
Exact solution to 1D Hydrogen, Hubbard model, and TDDFT
Informal talk
Fri, Nov 13
10:30
Aud
Ulf von Barth
Correlation energy functional and potential from time-dependent exact exchange theory.
Formal talk

2pm
SSR
ALL
Open discussion
All interested
[TOP⇧]

November 16-20: Focus week on Theoretical Spectroscopy (organiser: Rex Godby)

Date
Time
Place*
Speaker
Title
Comments, Links,...
Mon
Nov 16
10:30am
Aud
Robert van Leeuwen
Conserving approximations in TDDFT: connections to many-body perturbation theory

Mon
Nov 16
2:00pm
SSR
Ulf von Barth
- to lead discussion on "guiding principles" in theoretical spectroscopy:
further contributions may be flagged here, with slides linked if desired


Tue
Nov 17
10:30am
Aud
John Rehr
Real-time approaches for linear and nonlinear optical response

Tue
Nov 17
2:00pm
SSR

Discussion on TDDFT functionals for spectroscopy of finite systems, including
- Kieron Burke (30 minutes)
- further contributions may be flagged here, with slides linked if desired

Wed
Nov 18
10:30am
Aud
Paolo Umari
Non resonant Hyper-Raman spectra from first principles: application to vitreous silica

Wed
Nov 18
2:00pm
-

No focus-week talk - KITP General Colloquium: see http://www.kitp.ucsb.edu/activities/schedule/


Thu
Nov 19
10:30am
Aud
Werner Hanke
Superconductivity in the iron pnictides: from DFT to a functional-renormalization-group study

Thu
Nov 19
2:00pm
Aud
Wei Ku
Local approach for excitations in strongly correlated materials: Frenkel excitons and their propagation

Fri
Nov 20
10:30am
Aud
Gian-Marco Rignanese
Vibrational Spectroscopy

Fri
Nov 20
2:00pm
SSR

General discussion on theoretical spectroscopy, including
Kris Delaney: 15 min on "GW Calculations: Total Energies and Input Dependence "



Date
Time
Place*
Speaker
Title
Comments, Links,...
Mon
Nov 23
10.30am
Aud
Neepa Maitra
Some challenges in TDDFT and some possible solutions in phase-space
outside visitor


2:00pm
SSR
Tom Berlijn
Wannier Function Based First-Principles Method for Disordered Systems

Tue
Nov 24
10.30am
Aud
Timo Thonhauser
Berry-phase Modern Theory of Orbital Magnetization



2:00pm
??
Kieron Burke
The unreasonable accuracy of asymptotic expansions: Why density functional theory works
KITP seminar
Wed
Nov 25
10.30am
Aud
Carla Molteni
Modelling excited states in biological chromophore: from TDDFT to GW+BSE

Wed
Nov 25
2:00pm

Any
Open discussion

Thu
Nov 26




Thanksgiving Holiday
Fri
Nov 27




Thanksgiving Holiday

Date
Time
Place*
Speaker
Title
Comments, Links,...
Mon
Nov 30
10:30am
Aud
Hong Jiang
Localized and itinerant states in a unified picture beyond DFT

Mon
Nov 30
2:00pm
SSR

Discussion "beyond DFT"
please upload your slides
Tue
Dec 1
10:30am
Aud
Sergey Savrasov
Electronic Structure Calculations with Dynamical Mean Field Theory

Tue
Dec 1
2:00pm
SSR

Discussion "beyond DFT"
please upload your slides
Wed
Dec 2
10:30am
Aud
Mark van Schilfgaarde
The Quasiparticle Self-Consist GW Approximation - Prospects for Improvement

Wed
Dec 2
2:00pm
SSR

Discussion "beyond DFT"
please upload your slides
Thu
Dec 3
10:30am
SSR
Kai-Ming Ho
Beyond LDA - The Gutzwiller Approach

Thu
Dec 3
2:00pm
Aud

Discussion "beyond DFT"
please upload your slides
Fri
Dec 4
10:30am
SSR

open discussion

Fri
Dec 4
2:00pm
SSR

Discussion "beyond DFT"
please upload your slides

Date
Time
Place*
Speaker
Title
Comments, Links,...
Mon
Dec 7
10.30am
Aud





2:00pm
SSR
Ann E. Mattsson
Multiscale Dynamic Materials Modeling MS 1322

Tue
Dec 8
10:30am
Aud





2:00pm
SSR

Discussion on AM05 functional

Wed
Dec 9
10:30am
Aud





2:00pm
SSR



Thu
Dec 10
10:30am
Aud
Hardy Gross
Reduced-density-matrix-functional theory:
Toward an ab-initio description of strongly correlated systems




3:30pm
SSR

Discussion

Fri
Dec 11
10:30am
SSR

Discussion on "impurity orbitals in materials"



2:00pm
SSR

Discussion


Date
Time
Place*
Topic
Speakers
Comments, Links,...
Mon
Dec 14
10.30am
SSR
The fastest RPA in the west
Filipp Furche
Informal talk


2:00pm
SSR
Which code to use? Best of ...
Risto Nieminen, Volker Blum, Claudia Ambrosch-Draxl
Discussion




Best of ...
Risto Nieminen





Best of FHI-aims
Volker Blum





Best of exciting
Claudia Ambrosch-Draxl

Tue
Dec 15
10:30am
Aud
Scalable Algorithms for Electronic Structure Calculations
Francois Gygi
Formal talk


2:00pm
SSR
Excited states
Mark van Schilfgaarde, Stephan Sagmeister, Xinguo Ren, Hong Jiang, John Rehr
Discussion
Wed
Dec 16
10:30am
SSR
Large scale computing, speedup, scaling
Volker Blum, Kieron Burke, Francois Gigy
Discussion


2:00pm
SSR



Thu
Dec 17
10:30am
SSR
Code sharing, organization, I/O
Rex Godby, Christian Meisenbichler
Discussion


2:00pm
SSR
Challenges: multiplets, RIXS, PES, EMCD, NMR…
all
Discussion
Fri
Dec 18
10:30am
SSR





2:00pm
SSR




*Aud=Auditorium, SSR=Small Seminar Room, MSR=Main Seminar Room FR=Founders' Room






The official KITP schedule of events for the current week is available here . While it is not as complete or up-to-date as the present page, it does contain activities which are not part of the "Excitations" program, including talks of general interest (denoted with a pointing finger).